3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one

C₂₀H₁₆O₄CAS 53947-92-5320.34 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₂₀H₁₆O₄
Molar mass: 320.34 g/mol
Exact mass: 320.1049 Da
Melting point: 238–239 °C
logP: 4.35Crippen estimate
Polar surface area: 59.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

53947-92-5

SMILES

CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1

InChIKey

PWAACAMQKVIVPZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3

Weigh it out

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

Names and synonyms

2 names

4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-
Corylin

Work with 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-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

Calycosin20575-57-959 % similar Daidzein486-66-858 % similar 3′,4′,7-Trihydroxyisoflavone485-63-255 % similar Formononetin485-72-355 % similar 7-Hydroxyisoflavone13057-72-253 % similar Neobavaisoflavone41060-15-549 % similar Glycitein40957-83-346 % similar 6,7,4′-Trihydroxyisoflavone17817-31-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook