chempirical

Quercetin 3,4′-dimethyl ether

C17H14O7CAS 33429-83-3330.29 g/mol

Open in Covalent MOL file
OOOHOHOOHO
EtherPhenol

Properties

Molecular formula
C17H14O7
Molar mass
330.29 g/mol
Exact mass
330.0740 Da
Melting point
232–233 °C
logP
2.59Crippen estimate
Polar surface area
109.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3

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
33429-83-3
SMILES
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O
InChIKey
ZSPZNFOLWQEVQJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-
  • Flavone, 3′,5,7-trihydroxy-3,4′-dimethoxy-
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
  • 3,4′-Dimethoxy-3′,5,7-trihydroxyflavone
  • 3,4′-Dimethylquercetin
  • 5,7,3′-Trihydroxy-3,4′-dimethoxyflavone
  • NSC 106970
  • Quercetin 3,4'-dimethyl ether

Work with Quercetin 3,4′-dimethyl ether

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

Tamarixetin603-61-280 % similar Galangin 3-methyl ether6665-74-374 % similar Casticin479-91-473 % similar Retusin (flavonol)1245-15-470 % similar Pachypodol33708-72-467 % similar Isorhamnetin480-19-367 % similar Diosmetin520-34-363 % similar Chrysosplenetin603-56-561 % similar

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

Same formula

Jaceosidin18085-97-7 Tricin520-32-1 Aurantioobtusin67979-25-3

Elsewhere

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