chempirical

Urolithin A

C13H8O4CAS 1143-70-0228.20 g/mol

Open in Covalent MOL file
OOOHHO
Phenol

Properties

Molecular formula
C13H8O4
Molar mass
228.20 g/mol
Exact mass
228.0423 Da
Melting point
340–345 °C
logP
2.36Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
1143-70-0
SMILES
O=c1oc2cc(O)ccc2c2ccc(O)cc12
InChIKey
RIUPLDUFZCXCHM-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H

Weigh it out

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

Names and synonyms

7 names
  • 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-
  • 2-Biphenylcarboxylic acid, 2′,4,4′-trihydroxy-, δ-lactone
  • 3,8-Dihydroxy-6H-dibenzo[b,d]pyran-6-one
  • 2′,7-Dihydroxy-3,4-benzocoumarin
  • 3,8-Hydroxydibenzo-α-pyrone
  • 3,8-Dihydroxyurolithin
  • 3,8-Dihydroxybenzo[c]chromen-6-one

Work with Urolithin A

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

Urolithin B1139-83-981 % similar Coumestrol479-13-063 % similar Chlorferon6174-86-356 % similar 4-Methylumbelliferone90-33-550 % similar 4',7-Dihydroxyflavone2196-14-749 % similar 7-Hydroxyflavone6665-86-746 % similar 2-Dibenzofuranol86-77-146 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-145 % similar

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

Elsewhere

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