chempirical

7-Hydroxyisoflavone

C15H10O3CAS 13057-72-2238.24 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C15H10O3
Molar mass
238.24 g/mol
Exact mass
238.0630 Da
Melting point
131 °C
logP
3.17Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
13057-72-2
SMILES
O=c1c(-c2ccccc2)coc2cc(O)ccc12
InChIKey
WMKOZARWBMFKAS-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
  • Isoflavone, 7-hydroxy-
  • 7-Hydroxy-3-phenyl-4H-1-benzopyran-4-one
  • 7-Hydroxy-3-phenylchromen-4-one
  • NSC 607392
  • 7-Hydroxy-3-phenyl-4H-chromen-4-one

Work with 7-Hydroxyisoflavone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Daidzein486-66-883 % similar 3′,4′,7-Trihydroxyisoflavone485-63-269 % similar Formononetin485-72-368 % similar Isoflavone574-12-965 % similar 6,7,4′-Trihydroxyisoflavone17817-31-162 % similar Calycosin20575-57-959 % similar Ipriflavone35212-22-757 % similar 3,7-Dihydroxyflavone492-00-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Hydroxymethyl)anthraquinone17241-59-7 4,5-Diphenyl-1,3-dioxol-2-one21240-34-6 5-Hydroxyflavone491-78-1 3-Hydroxyflavone577-85-5 6-Hydroxyflavone6665-83-4 7-Hydroxyflavone6665-86-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook