Formononetin

C₁₆H₁₂O₄CAS 485-72-3268.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₂O₄
Molar mass: 268.27 g/mol
Exact mass: 268.0736 Da
Melting point: 256.5 °C
logP: 3.17Crippen estimate
Polar surface area: 59.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

485-72-3

SMILES

COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1

InChIKey

HKQYGTCOTHHOMP-UHFFFAOYSA-N

InChI

InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3

Weigh it out

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

Names and synonyms

17 names · show all

4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-
Isoflavone, 7-hydroxy-4′-methoxy-
7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
7-Hydroxy-4′-methoxyisoflavone
Biochanin B
Formononetol
Daidzein 4′-methyl ether
NSC 93360
Flavosil
Formonetin
7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one
Myconate
Formonentin
6-Demethoxyafromosin
Mycotech
Myconate HB
Neochanin

Work with Formononetin

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

4',7-Dimethoxyisoflavone1157-39-779 % similar Daidzein486-66-876 % similar Calycosin20575-57-971 % similar 7-Hydroxyisoflavone13057-72-268 % similar Biochanin A491-80-567 % similar Glycitein40957-83-364 % similar 3′,4′,7-Trihydroxyisoflavone485-63-264 % similar Isoprunetin4569-98-661 % similar

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

Same formula

4,4′-(1,2-Ethenediyl)bis[benzoic acid]100-31-2 4,4'-Stilbenedicarboxylic acid133005-88-6 Techtochrysin520-28-5 Isoxepac55453-87-7 Rubiadin 1-methyl ether7460-43-7

Elsewhere

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