chempirical

Flavone

C15H10O2CAS 525-82-6222.24 g/mol

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Properties

Molecular formula
C15H10O2
Molar mass
222.24 g/mol
Exact mass
222.0681 Da
Density
0.9 g/mL
Melting point
100 °C
logP
3.46Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
525-82-6
SMILES
O=c1cc(-c2ccccc2)oc2ccccc12
InChIKey
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

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Names and synonyms

13 names · show all
  • 4H-1-Benzopyran-4-one, 2-phenyl-
  • 2-Phenyl-4H-1-benzopyran-4-one
  • 2-Phenyl-γ-benzopyrone
  • 2-Phenylchromone
  • Asmacoril
  • Chromocor
  • Cromaril
  • 2-Phenyl-4-chromone
  • 2-Phenyl-4H-benzopyran-4-one
  • NSC 19028
  • 94166III
  • 2-Phenyl-4H-chromen-4-one
  • 2-Phenylchromen-4-one

Reactions

Work with Flavone

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

6-Methyl-2-phenyl-chromen-4-one29976-75-867 % similar 6-Hydroxyflavone6665-83-467 % similar 7-Hydroxyflavone6665-86-767 % similar 3',4'-Dihydroxyflavone4143-64-065 % similar Beta-naphthoflavone6051-87-262 % similar 7-Methoxyflavone22395-22-862 % similar 6-Methoxyflavone26964-24-962 % similar 3',4'-Dimethoxyflavone4143-62-860 % similar

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

Same formula

Isoflavone574-12-9 Benzylidenephthalide575-61-1 2-Anthracenecarboxylic acid613-08-1 9-Anthracenecarboxylic acid723-62-6 Phenindione83-12-5 2-Methylanthraquinone84-54-8

Elsewhere

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