Urolithin B

C13H8O3CAS 1139-83-9212.20 g/mol

Open in Covalent MOL file
OOOH
Phenol

Properties

Molecular formula
C13H8O3
Molar mass
212.20 g/mol
Exact mass
212.0473 Da
Melting point
247 °C
logP
2.65Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1139-83-9
SMILES
O=c1oc2cc(O)ccc2c2ccccc12
InChIKey
WXUQMTRHPNOXBV-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H

Weigh it out

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

Names and synonyms

10 names
  • 6H-Dibenzo[b,d]pyran-6-one, 3-hydroxy-
  • 2-Biphenylcarboxylic acid, 2′,4′-dihydroxy-, δ-lactone
  • 3-Hydroxy-6H-dibenzo[b,d]pyran-6-one
  • 7-Hydroxy-3,4-benzocoumarin
  • NSC 94726
  • 3-Hydroxydibenzo-α-pyrone
  • 3-Hydroxyurolithin
  • 3-Hydroxy-6H-benzo[c]chromen-6-one
  • 3-Hydroxybenzo[c]chromen-6-one
  • 3-Hydroxy-6H-benzo[c]chromene-6-one

Work with Urolithin B

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 A1143-70-081 % similar Coumestrol479-13-059 % similar Chlorferon6174-86-354 % similar Diphenic anhydride6050-13-153 % similar 2-Dibenzofuranol86-77-151 % similar 7-Hydroxyflavone6665-86-751 % similar 3,7-Dihydroxyflavone492-00-249 % similar 3-Cyano-7-hydroxycoumarin19088-73-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sieber linker3722-51-8 2,7-Dihydroxyfluoren-9-one42523-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia