6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

C₁₆H₁₄O₂SCAS 63675-74-1270.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄O₂S
Molar mass: 270.35 g/mol
Exact mass: 270.0715 Da
Melting point: 193–195 °C
logP: 4.59Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed72.7% of notifiers
H312 Harmful in contact with skin27.3% of notifiers
H315 Causes skin irritation27.3% of notifiers
H319 Causes serious eye irritation27.3% of notifiers
H332 Harmful if inhaled27.3% of notifiers
H335 May cause respiratory irritation27.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63675-74-1

SMILES

COc1ccc(-c2cc3ccc(OC)cc3s2)cc1

InChIKey

HRWAGCVMOGWQJF-UHFFFAOYSA-N

InChI

InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Benzo[b]thiophene, 6-methoxy-2-(4-methoxyphenyl)-
2-(4-Methoxyphenyl)-6-methoxybenzo[b]thiophene
2-(4-Methoxyphenyl)-6-methoxybenzothiophene

Work with 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

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-Methoxybenzo(B)thiophene90560-10-454 % similar 4,4'-Dimethoxybiphenyl2132-80-152 % similar 2-(4-Hydroxyphenyl)-1-benzothiophene-6-ol63676-22-249 % similar 2,6-Dimethoxynaphthalene5486-55-548 % similar 2,7-Dimethoxynaphthalene3469-26-947 % similar 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione532-11-646 % similar 2-(4-Methoxyphenyl)thiophene42545-43-746 % similar 4-Methoxybiphenyl613-37-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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