chempirical

3-Methylflavone-8-carboxylic acid

C17H12O4CAS 3468-01-7280.28 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acid

Properties

Molecular formula
C17H12O4
Molar mass
280.28 g/mol
Exact mass
280.0736 Da
Melting point
215–220 °C
logP
3.47Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
3468-01-7
SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=O
InChIKey
KMMBBZOSQNLLMN-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)

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Names and synonyms

5 names
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-
  • 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid
  • 8-Carboxy-3-methylflavone
  • 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
  • 3-Methyl-4-oxo-2-phenylchromene-8-carboxylic acid

Work with 3-Methylflavone-8-carboxylic acid

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

Flavoxate15301-69-657 % similar Flavoxate hydrochloride3717-88-254 % similar 2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-043 % similar 2,3-Dimethylbenzoic acid603-79-243 % similar 3-Amino-2-methylbenzoic acid52130-17-342 % similar 3-Chloro-2-methylbenzoic acid7499-08-342 % similar 1-Biphenyl-2-carboxylic acid947-84-241 % similar 3-Fluoro-2-methylbenzoic acid699-90-141 % similar

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

Same formula

Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate54978-55-1

Elsewhere

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