UCSF

ZINC00967571

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 11 Yes

Popular Name: (+)-Fenchone (+)-Fenchone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4695-62-9 , 7787-20-4

Other Names:

"D(+)-Fenchone, 97%"

( -)-Fenchone; 1,3,3-Trimethyl-2-norbornanone; 1,3,3-Trimethyl-2-norcamphanone; 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one; 1,3,3-Trimethylnorcamphor; 2-Norbornanone, 1,3,3-trimethyl-; 3,3-Dimethyl-8,9-dinorbornan-2-one; AI3-00736; ALPHA-FENCHONE; BRN 1861

(+)-1,3,3-Trimethylnorcamphor

(+)-2-fenchanone; (+)-fenchan-2-one; (+)-fenchone; (1S)-(+)-fenchone; (1S)-fenchone; (1S,4R)-(+)-2-fenchanone; (1S,4R)-(+)-fenchan-2-one; (1S,4R)-(+)-fenchone; (1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one; (1S,4R)-2-fenchanone; (1S,4R)-fenchan-2-one

(+)-Fenchone, 98%

(+)-Fenchone; (1R)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one; (1S)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one; 1,3,3-Trimethyl-2-norbornanone, D-; 1,3,3-Trimethyl-2-norcamphanone, D-; 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one; 1,3,3-Trimethylbicyclo(2.2.1)

(+)-Fenchone; (1S,4R)-(+)-Fenchone; 4695-62-9; C11387

(-)-1,3,3-Trimethylnorcamphor

(-)-Fenchone

(-)-Fenchone [7787-20-4]

(-)-Fenchone, 98+%

(-)-FENCHONE; [7787-20-4]

(1R)-(-)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one

(1R,4S)-(+)-Fenchone;(1R,4S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one;(1R,4S)-Fenchan-2-one;(1R,4S)-Fenchone;L-alpha-Fenchone;L-Fenchone

(1R,4S)-(-)-Fenchone; 7787-20-4; C09859; Fenchone

(1S)-(+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one

(1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

(1S,4R)-fenchone

1,3,3-trimethyl-2-norbornanone; 1,3,3-trimethyl-2-norcamphanone; 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one; Fenchone

1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

1-methoxy-4-[(E)-prop-1-enyl]benzene; 1-methoxy-4-prop-2-enylbenzene; 2,2,4-trimethylbicyclo[2.2.1]heptan-3-one

2,2,4-trimethylbicyclo[2.2.1]heptan-3-one

33

732

Bitter fenchel [German]; Bitter fennel oil; FEMA No. 2483; Fenchel oel [German]; Fennel oil; Fennel oil, bitter; Fennel oil, bitter (Foeniculum vulgare miller); Fennel oil, sweet; Fennel oil, sweet (Foeniculum vulgare MilL. var. dulce D.C.); Fenouil amer

CHEBI:63901

D(+)-Fenchone, 97%

D-fenchone

fenchone

fennel oil

L(-)-Fenchone, 98+%

MFCD00070689

MFCD00151104

Download: MOL2 SDF SMILES Flexibase

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) 2.16 5.79 -4.97 0 1 0 17 152.237 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 10.816 Bitter DB
Molecular_Solubility 2.412 Bitter DB
BP [°C] 192 - 194 Acros Organics
Boiling_Point 192-194? Alfa-Aesar
Boiling_Point 192-194° Alfa-Aesar
BP 193 TCI
Melting_Point 3-5? Alfa-Aesar
Melting_Point 3-5° Alfa-Aesar
Mp [°C] 5 Acros Organics
Mp [°C] 5 - 7 Acros Organics
MP 5-6 °C(lit.) Indofine
Melting_Point 5-7? Alfa-Aesar
Melting_Point 5-7° Alfa-Aesar
MP 5...7 Enamine Building Blocks
BP [°C] 63 - 65 (p=13 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0868420A1; EP0868420B1; EP0885889A3; US5925768 IBM Patent Data
Patent Database Links EP1552814; EP1857436; WO2005014569; WO2007095156; WO2007134666 ChEBI
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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