2-(4-Hydroxyphenyl)-1-benzothiophene-6-ol

C₁₄H₁₀O₂SCAS 63676-22-2242.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀O₂S
Molar mass: 242.29 g/mol
Exact mass: 242.0402 Da
logP: 3.98Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

63676-22-2

SMILES

Oc1ccc(-c2cc3ccc(O)cc3s2)cc1

InChIKey

MDGWZLQPNOETLH-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H

Weigh it out

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

Names and synonyms

5 names

Benzo[b]thiophene-6-ol, 2-(4-hydroxyphenyl)-
2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol
2-(4-Hydroxyphenyl)benzo[b]thien-6-ol
2-(4-Hydroxyphenyl)benzo[b]thiophen-6-ol
2-(4-Hydroxyphenyl)-1-benzothiophen-6-ol

Work with 2-(4-Hydroxyphenyl)-1-benzothiophene-6-ol

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

6-Methoxy-2-(4-methoxyphenyl)benzo[B]thiophene63675-74-149 % similar 2,6-Dihydroxynaphthalene581-43-143 % similar 2,7-Naphthalenediol582-17-241 % similar 4,4'-Biphenol92-88-641 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-238 % similar 2-Naphthol135-19-338 % similar 2-Amino-6-benzothiazolol26278-79-537 % similar 1,7-Dihydroxynaphthalene575-38-236 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook