chempirical

5,7,4′-Trimethoxyflavone

C18H16O5CAS 5631-70-9312.32 g/mol

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Ether

Properties

Molecular formula
C18H16O5
Molar mass
312.32 g/mol
Exact mass
312.0998 Da
Melting point
152–154 °C
logP
3.49Crippen estimate
Polar surface area
57.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
5631-70-9
SMILES
COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
InChIKey
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3

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Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)-
  • Flavone, 4′,5,7-trimethoxy-
  • 5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 4′,5,7-Trimethoxyflavone
  • Tri-O-methylapigenin
  • Trimethylapigenin
  • 5,7,4′-Trimethoxyapigenin
  • 5,7-Dimethoxy-2-(4-methoxyphenyl)chromone
  • 5,7-Dimethoxy-4-oxo-2-(4-methoxyphenyl)-4H-1-benzopyran
  • Apigenin trimethyl ether
  • 5,7,4′-Tri-O-methylapigenin
  • 5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Work with 5,7,4′-Trimethoxyflavone

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

5,7-Dimethoxyflavone21392-57-483 % similar 5,7,3′,4′-Tetramethoxyflavone855-97-081 % similar Genkwanin437-64-963 % similar Acacetin480-44-463 % similar Techtochrysin520-28-560 % similar Pectolinarigenin520-12-760 % similar Luteolin 7-methyl ether20243-59-859 % similar 5-Methoxyflavone42079-78-759 % similar

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

Same formula

2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate16432-81-8 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-1

Elsewhere

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