3-(4-Bromophenyl)-6-methoxybenzo[b]thiophene

Substructure search Find similar structures

Basic information

CAS: 192443-25-7
Standard SMILES: COc1ccc2c(-c3ccc(Br)cc3)csc2c1
InChIKey: XQHVZCQNQQRWJL-UHFFFAOYSA-N
Molecular formula: C15H11BrOS
Average molar mass: 319.2 g/mol
Monoisotopic mass: 317.97139807

Names & identifiers

Preferred name: 3-(4-Bromophenyl)-6-methoxybenzo[b]thiophene
IUPAC: 3-(4-bromophenyl)-6-methoxy-1-benzothiophene

Names & synonyms

192443-25-73-(4-Bromophenyl)-6-methoxybenzo[b]thiophene3-(4-Bromophenyl)-6-methoxy-1-benzothiopheneSCHEMBL5043116DTXSID90572640XQHVZCQNQQRWJL-UHFFFAOYSA-N3-(4-Bromo-phenyl)-6-methoxy-benzo[b]thiophene

Database identifiers

CAS: 192443-25-7
PubChem CID: 15422641
DTXSID: DTXSID90572640
Nikkaji: J1.083.834G

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 37.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Related reactions

6 records

New reaction record

HRID 270385As reactantuspto-grants-2008_11

HRID 342196As reactantuspto-grants-1999_01

HRID 342197As reactantuspto-grants-1999_01

HRID 347156As reactantuspto-grants-2007_02

HRID 696225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 966291As reactantuspto-grants-2005_10

Compound notes

Loading…