chempirical

3,3′-Di-O-methylellagic acid

C16H10O8CAS 2239-88-5330.25 g/mol

Open in Covalent MOL file
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EtherPhenol

Properties

Molecular formula
C16H10O8
Molar mass
330.25 g/mol
Exact mass
330.0376 Da
Melting point
330–331 °C
logP
1.92Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
2

Identifiers

CAS number
2239-88-5
SMILES
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34
InChIKey
KLAGYIBJNXLDTL-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,7-dihydroxy-3,8-dimethoxy-
  • Diphenic acid, 4,4′,6,6′-tetrahydroxy-5,5′-dimethoxy-, di-δ-lactone
  • 2,7-Dihydroxy-3,8-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
  • Ellagic acid, 3,3′-di-O-methyl-
  • Ellagic acid 3,3′-dimethyl ether
  • 3,3′-Dimethoxyellagic acid
  • 3,3′-Dimethylellagic acid

Work with 3,3′-Di-O-methylellagic acid

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

Ellagic acid476-66-458 % similar Wogonin632-85-948 % similar Wedelolactone524-12-945 % similar 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-240 % similar Bellidifolin2798-25-639 % similar Oroxylin A480-11-538 % similar Nepetin520-11-638 % similar Skullcapflavone ii55084-08-738 % similar

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

Same formula

3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-0

Elsewhere

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