UCSF

ZINC00213065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 4-Hydroxyphenylacetic acid 4-Hydroxyphenylacetic acid

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CAS Numbers: 156-38-7 , [156-38-7]

Other Names:

"4-Hydroxyphenylacetic acid, 98%"

(4-hydroxy-phenyl)-acetate; (4-hydroxy-phenyl)-acetic acid; (4-Hydroxy-phenyl)-essigsaeure; (4-hydroxyphenyl)acetate; (4-hydroxyphenyl)acetic acid; (o-hydroxyphenyl)acetic acid; (p-hydroxyphenyl)-Acetate; (p-hydroxyphenyl)-Acetic acid; (p-Hydroxyphenyl)ac

(4-hydroxy-phenyl)-acetate;(4-hydroxy-phenyl)-acetic acid;(4-Hydroxy-phenyl)-essigsaeure;(4-hydroxyphenyl)acetate;(4-hydroxyphenyl)acetic acid;(p-hydroxyphenyl)-Acetate;(p-hydroxyphenyl)-Acetic acid;(p-Hydroxyphenyl)acetate;(p-Hydroxyphenyl)acetic acid;4-

(4-Hydroxy-phenyl)-essigsaeure; (4-hydroxy-phenyl)-acetate; (4-hydroxy-phenyl)-acetic acid; (4-hydroxyphenyl)acetate; (4-hydroxyphenyl)acetic acid; (p-Hydroxyphenyl)acetate; (p-Hydroxyphenyl)acetic acid; (p-hydroxyphenyl)-Acetate; (p-hydroxyphenyl)-Acetic

(4-Hydroxy-phenyl)-essigsaeure;(4-hydroxy-phenyl)-acetate;(4-hydroxy-phenyl)-acetic acid;(4-hydroxyphenyl)acetate;(4-hydroxyphenyl)acetic acid;(p-Hydroxyphenyl)acetate;(p-Hydroxyphenyl)acetic acid;(p-hydroxyphenyl)-Acetate;(p-hydroxyphenyl)-Acetic acid;4-

(4-hydroxyphenyl)acetic acid

(4-Hydroxyphenyl)acetic acid; (p-Hydroxyphenyl)acetic acid; 4-Carboxymethylphenol; 4-HPA; 4-Hydroxybenzeneacetic acid; 4-Hydroxyphenylacetate; 4-Hydroxyphenylacetic acid; 4HP; Acetic acid, (p-hydroxyphenyl)-; Benzeneacetic acid, 4-hydroxy-; DL-para-hydrox

(4-Hydroxyphenyl)acetic acid; (p-Hydroxyphenyl)acetic acid; 4-Carboxymethylphenol; 4-Hydroxybenzeneacetic acid; 4-Hydroxyphenylacetate; 4-Hydroxyphenylacetic acid; AI3-17755; Acetic acid, (p-hydroxyphenyl)-; BRN 1448766; Benzeneacetic acid, 4-hydroxy-; EI

(4E)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide

(p-hydroxyphenyl)acetate; 2-(4-hydroxyphenyl)ethanoate; 4-hydroxybenzeneacetate; 4-hydroxyphenylacetate

(p-hydroxyphenyl)acetic acid; 4-HPA; 4-carboxymethylphenol; 4-hydroxybenzeneacetic acid; p-hydroxyphenylacetic acid

156-38-7; 4-HPA; 4-hydroxyphenyl acetate; 4-hydroxyphenylacetate; 4-hydroxyphenylacetic acid; DL-para-hydroxyphenylacetic acid; benzeneacetic acid, 4-hydroxy-; p-hydroxyphenylacetate; p-hydroxyphenylacetic acid

156-38-7; 4-Hydroxyphenylacetate; 4-Hydroxyphenylacetic acid; C00642

2-(4-Hydroxyphenyl)acetic acid

2-Hydroxy-4,4'-diamidinostilbene di(beta-hydroxyethanesulfonate)

2-Hydroxy-4,4'-diguanylstilbene diisethionate

2-Hydroxy-4,4'-stilbenedicarboxamidine bis(2-hydroxyethanesulfonate) (salt)

2-Hydroxy-4,4'-stilbenedicarboxamidine diisethionate

2-hydroxyethanesulfonic acid

2-Hydroxyethanesulphonic acid, compound with 4-(2-(4-amidinophenyl)vinyl)-3-hydroxybenzenecarboxamidine (2:1)

2-Hydroxystilbamidine diisethionate

2-Hydroxystilbamidine isethionate

4-Hydroxyphenyl acetic acid

4-hydroxyphenylacetate

4-Hydroxyphenylacetic acid 98%

4-Hydroxyphenylacetic Acid [156-38-7]

4-Hydroxyphenylacetic acid, 98%

4-Hydroxyphenylacetic acid, 99%

4-HYDROXYPHENYLACETIC ACID; [156-38-7]

4-HydroxyphenylaceticAcid

533-22-2

AC1NSE04

Atenolol impurity F; (4-Hydroxyphenylacetic acid)

Benzenecarboximidamide, 4-(2-(4-(aminoiminomethyl)phenyl)ethenyl)-3-hydroxy-, bis(2-hydroxyethanesulfonate) (salt)

C16H16N4O.2C2H6O4S

CHEBI:40091; CHEBI:12014; CHEBI:20419; CHEBI:1874

CID5359440

DAP000850

EINECS 208-557-3

Ethanesulfonic acid, 2-hydroxy-, compd. with 2-hydroxy-4,4'-stilbenedicarboxamidine (2:1)

Ethanesulfonic acid, 2-hydroxy-, compd. with 2-hydroxy-4,4'-stilbenedicarboxamidine (2:1) (8CI)

Ethanesulfonic acid, 2-hydroxy-, compd. with 4-(2-(4-(aminoiminomethyl)phenyl)ethenyl)-3-hydroxybenzenecarboximidamide (2:1)

Hydroxystilbamide

Hydroxystilbamidine diisethionate

hydroxystilbamidine isethionate

LS-175439

MFCD00004347

NSC 259242

p-Hydroxyphenylacetic acid

UNII-0163PVD2QZ

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.88 2.07 -47.22 1 3 -1 60 151.141 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 147 - 152 Acros Organics
mp 148 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 148-150? Alfa-Aesar
Melting_Point 148-150° Alfa-Aesar
MP 148-151 °C(lit.) Indofine
MP 149 - 151 Enamine Building Blocks
MP 149-151° Oakwood Chemical
MP 149...151 Enamine Building Blocks
MP 150 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Purity 99% Fluorochem
UniProt Database Links CPRA_DESHD; HPAB_ECOLX; HPAB_KLEOX; HPAB_THET8; HPAC_ECOLX; HPAC_KLEOX; HPAC_SALDU; HPAC_SALTI; HPAC_SALTY; HPAC_THET8; HPAG_ECOLX; HPAG_SALDU; HPAHR_ACIBA; HPAH_ACIBA; HPAH_GEOP9; HPAH_GEOTN; HPCB_ECOLX; HPCC_ECOLX; HPCD_ECOLX; HPCE_ECOLX; HPCG_ECOLX; HP ChEBI
Patent Database Links EP1876169; US2007178123; WO2006020234 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q3I4V7-1-F Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal Fungi 900 0.77 Binding ≤ 10μM
Q5AJ71-2-F Carbonic Anhydrase (cluster #2 Of 4), Fungal Fungi 1020 0.76 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q3I4V7_CRYNV Q3I4V7 Carbonic Anhydrase 2, Crynv 900 0.77 Binding ≤ 1μM
Q5AJ71_CANAL Q5AJ71 Carbonic Anhydrase, Canal 1020 0.76 Binding ≤ 10μM
Q3I4V7_CRYNV Q3I4V7 Carbonic Anhydrase 2, Crynv 900 0.77 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )