chempirical

Isoflavone

C15H10O2CAS 574-12-9222.24 g/mol

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Properties

Molecular formula
C15H10O2
Molar mass
222.24 g/mol
Exact mass
222.0681 Da
Melting point
132 °C
logP
3.46Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 52 ECHA notifiers. Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
574-12-9
SMILES
O=c1c(-c2ccccc2)coc2ccccc12
InChIKey
GOMNOOKGLZYEJT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 3-phenyl-
  • 3-Phenyl-4H-1-benzopyran-4-one
  • 3-Phenylchromone
  • Isoflavone 80
  • NSC 135405
  • 3-Phenyl-4-chromone
  • Isoflavone 20
  • 3-Phenyl-4H-chromen-4-one
  • 3-Phenylchromen-4-one

Work with Isoflavone

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

7-Hydroxyisoflavone13057-72-265 % similar 3-Bromochromone49619-82-156 % similar Ipriflavone35212-22-756 % similar 3-Formylchromone17422-74-153 % similar 4-Oxo-4H-chromene-3-carbonitrile50743-17-453 % similar Daidzein486-66-851 % similar Chromone-3-carboxylic acid39079-62-449 % similar Xanthone90-47-148 % similar

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

Same formula

Flavone525-82-6 Benzylidenephthalide575-61-1 2-Anthracenecarboxylic acid613-08-1 9-Anthracenecarboxylic acid723-62-6 Phenindione83-12-5 2-Methylanthraquinone84-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook