5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one

C₁₈H₁₆O₅CAS 973-67-1312.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₆O₅
Molar mass: 312.32 g/mol
Exact mass: 312.0998 Da
Melting point: 165–166 °C
logP: 3.49Crippen estimate
Polar surface area: 57.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed90.5% of notifiers
H412 Harmful to aquatic life with long lasting effects90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

973-67-1

SMILES

COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC

InChIKey

HJNJAUYFFFOFBW-UHFFFAOYSA-N

InChI

InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-phenyl-
Flavone, 5,6,7-trimethoxy-
5,6,7-Trimethoxyflavone
Baicalein trimethyl ether
5,6,7-Trimethylbaicalein

Work with 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one

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

Mosloflavone740-33-078 % similar Sinensetin2306-27-675 % similar 5,7-Dimethoxyflavone21392-57-473 % similar 5-Methoxyflavone42079-78-768 % similar Oroxylin A480-11-563 % similar Techtochrysin520-28-563 % similar 7-Methoxyflavone22395-22-857 % similar Eupatorin855-96-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate16432-81-8 5,7,4′-Trimethoxyflavone5631-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook