chempirical

(-)-Catechol

C15H14O6CAS 18829-70-4290.27 g/mol

Open in Covalent MOL file
OHOHOHOHOOH
Alcohol

Properties

Molecular formula
C15H14O6
Molar mass
290.27 g/mol
Exact mass
290.0790 Da
Melting point
93–96 °C
logP
1.55Crippen estimate
Polar surface area
110.4 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
1

Identifiers

CAS number
18829-70-4
SMILES
Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2
InChIKey
PFTAWBLQPZVEMU-HIFRSBDPSA-N
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • (-)-Catechin
  • L-Catechin
  • l-Catechol
  • NSC 81746
  • (-)-(2S,3R)-Catechin
  • Ent-Catechin
  • (-)-(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
  • (2S,3R)-Ent-catechin
  • (2S,3R)-Catechin
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)-
  • Catechol, (-)-
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-trans)-
  • (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Work with (-)-Catechol

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Catechin154-23-4 (+)-Epicatechin35323-91-2 Epicatechin490-46-0 Catechin7295-85-4

Elsewhere

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