3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Properties
- Molecular formula
- C15H14O3
- Molar mass
- 242.27 g/mol
- Exact mass
- 242.0943 Da
- Melting point
- 158 °C
- logP
- 2.82Crippen estimate
- Polar surface area
- 49.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
94105-90-5SMILES
Oc1ccc(C2COc3cc(O)ccc3C2)cc1InChIKey
ADFCQWZHKCXPAJ-UHFFFAOYSA-NInChI
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-
- (±)-Equol
- NV 07α
- 7,4′-Homoisoflavane
- 4',7-Dihydroxy-3,4-dihydroisoflavone
Work with 3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
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(-)-Maackiain19908-48-636 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds