2′-Hydroxy-4,4′,6′-trimethoxychalcone

C₁₈H₁₈O₅CAS 3420-72-2314.34 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Phenol

Properties

Molecular formula: C₁₈H₁₈O₅
Molar mass: 314.34 g/mol
Exact mass: 314.1154 Da
Melting point: 112–114 °C
logP: 3.31Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3420-72-2

SMILES

COc1ccc(C=CC(=O)c2c(O)cc(OC)cc2OC)cc1

InChIKey

CGIBCVBDFUTMPT-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3

Weigh it out

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

Names and synonyms

4 names

2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-
Chalcone, 2′-hydroxy-4,4′,6′-trimethoxy-
1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
NSC 37445

Work with 2′-Hydroxy-4,4′,6′-trimethoxychalcone

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

Flavokavain B1775-97-984 % similar Cardamomin19309-14-965 % similar 4,4′-Dimethoxychalcone2373-89-956 % similar Brevifolin90-24-456 % similar 4-Methoxychalcone959-33-152 % similar 4-Methoxycinnamic acid830-09-151 % similar 4-Methoxycinnamic acid943-89-551 % similar Xanthohumol6754-58-150 % similar

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

Same formula

Di-O-benzoyldiethylene glycol120-55-8 Naringenin trimethyl ether38302-15-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook