UCSF

ZINC12359045

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 13 Yes

Popular Name: 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol 4-(3-Hydroxyprop-1-en-1-yl)-2-me…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 458-35-5 , [458-35-5]

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) 1.37 0.24 -7.75 2 3 0 50 180.203 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 163-165?/3mm Alfa-Aesar
Boiling_Point 163-165°/3mm Alfa-Aesar
Melting_Point 75-76? Alfa-Aesar
Melting_Point 75-76° Alfa-Aesar
MP 75-80 °C(lit.) Indofine
Purity 95% Fluorochem
UniProt Database Links ADHN_RHOER; CBG_PINCO; DIR10_ARATH; DIR11_ARATH; DIR12_ARATH; DIR13_ARATH; DIR14_ARATH; DIR15_ARATH; DIR16_ARATH; DIR17_ARATH; DIR18_ARATH; DIR19_ARATH; DIR1_ARATH; DIR20_ARATH; DIR21_ARATH; DIR22_ARATH; DIR23_ARATH; DIR24_ARATH; DIR25_ARATH; DIR2_ARATH ChEBI
Patent Database Links US2004023890; US2004171682; US2006135822 ChEBI

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