chempirical

3',4'-Dimethoxyflavone

C17H14O4CAS 4143-62-8282.30 g/mol

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Ether

Properties

Molecular formula
C17H14O4
Molar mass
282.30 g/mol
Exact mass
282.0892 Da
Melting point
156 °C
logP
3.48Crippen estimate
Polar surface area
48.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
4143-62-8
SMILES
COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC
InChIKey
ZGHORMOOTZTQFL-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3

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Names and synonyms

6 names
  • 3′,4′-Dimethoxyflavone
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-
  • Flavone, 3′,4′-dimethoxy-
  • 2-(3,4-Dimethoxyphenyl)-4H-1-benzopyran-4-one
  • 2-(3,4-Dimethoxyphenyl)-4H-chromen-4-one
  • 2-(3,4-Dimethoxyphenyl)chromen-4-one

Work with 3',4'-Dimethoxyflavone

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

Sinensetin2306-27-662 % similar 5,7,3',4'-Tetramethoxyflavone855-97-062 % similar Flavone525-82-660 % similar 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one167869-21-859 % similar 3',4'-Dihydroxyflavone4143-64-058 % similar 5-Hydroxy-3',4',7-trimethoxyflavone29080-58-857 % similar Nobiletin478-01-356 % similar 7-Methoxyflavone22395-22-855 % similar

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

Same formula

4',7-Dimethoxyisoflavone1157-39-7 5,6-Dimethylxanthenone-4-acetic acid117570-53-3 4-Benzoyl-3-hydroxyphenyl methacrylate2035-72-5 5,7-Dimethoxyflavone21392-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook