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Maclurin

C13H10O6CAS 519-34-6262.22 g/mol

Open in Covalent MOL file
OOHOHHOHOOH
KetonePhenol

Properties

Molecular formula
C13H10O6
Molar mass
262.22 g/mol
Exact mass
262.0477 Da
Melting point
222.5 °C
logP
1.45Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
2

Identifiers

CAS number
519-34-6
SMILES
O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O
InChIKey
XNWPXDGRBWJIES-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H

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Names and synonyms

13 names · show all
  • Methanone, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-
  • Benzophenone, 2,3′,4,4′,6-pentahydroxy-
  • (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
  • C.I. 75240
  • C.I. Natural yellow 11
  • Morintannic acid
  • Moritannic acid
  • Patent fustin
  • 2,3′,4,4′,6-Pentahydroxybenzophenone
  • Laguncurin
  • Kino-yellow
  • Macurin
  • NSC 83240

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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

3,4-Dihydroxybenzophenone10425-11-359 % similar 2,4,4′-Trihydroxybenzophenone1470-79-749 % similar 3′,4′-Dihydroxyacetophenone1197-09-749 % similar Phloroglucinol carboxylic acid83-30-747 % similar Hydroxyquinol533-73-347 % similar Methyl 3,4-dihydroxybenzoate2150-43-846 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-546 % similar 2,2′,4,4′-Tetrahydroxybenzophenone131-55-546 % similar

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

Elsewhere

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