chempirical

Beta-naphthoflavone

C19H12O2CAS 6051-87-2272.30 g/mol

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Properties

Molecular formula
C19H12O2
Molar mass
272.30 g/mol
Exact mass
272.0837 Da
Melting point
164–165 °C
logP
4.61Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6051-87-2
SMILES
O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12
InChIKey
OUGIDAPQYNCXRA-UHFFFAOYSA-N
InChI
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H

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Names and synonyms

8 names
  • 1H-Naphtho[2,1-b]pyran-1-one, 3-phenyl-
  • 5,6-Benzoflavone
  • 3-Phenyl-1H-naphtho[2,1-b]pyran-1-one
  • β-Naphthoflavone
  • NSC 136015
  • BNF
  • 3-Phenyl-1H-benzo[f]chromen-1-one
  • 3-Phenylbenzo[f]chromen-1-one

Work with Beta-naphthoflavone

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

5-Hydroxyflavone491-78-157 % similar 6-Hydroxyflavone6665-83-453 % similar 5-Methoxyflavone42079-78-753 % similar Chrysin480-40-051 % similar Baicalein491-67-851 % similar 6-Methoxyflavone26964-24-950 % similar 7-Hydroxyflavone6665-86-750 % similar 5,7-Dimethoxyflavone21392-57-448 % similar

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

Same formula

Alpha-naphthoflavone604-59-1

Elsewhere

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