6-bromo-3-chloro-1-benzothiophen-4-ol

C8H4BrClOS — CID 130925677

IUPAC6-bromo-3-chloro-1-benzothiophen-4-ol
SMILESOc1cc(Br)cc2scc(Cl)c12
InChIInChI=1S/C8H4BrClOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H
InChIKeyJMGBASYFVGQKNY-UHFFFAOYSA-N
MW263.54 g/mol
LogP4.02
Rot. Bonds

About 6-bromo-3-chloro-1-benzothiophen-4-ol

6-bromo-3-chloro-1-benzothiophen-4-ol (PubChem CID 130925677) has the molecular formula C8H4BrClOS and a molecular weight of 263.54 g/mol. Its IUPAC name is 6-bromo-3-chloro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-bromo-3-chloro-1-benzothiophen-4-ol
PubChem CID130925677
Molecular FormulaC8H4BrClOS
Molecular Weight263.54 g/mol
Exact Mass261.89
IUPAC Name6-bromo-3-chloro-1-benzothiophen-4-ol
SMILESOc1cc(Br)cc2scc(Cl)c12
InChIInChI=1S/C8H4BrClOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H
InChIKeyJMGBASYFVGQKNY-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
6-bromo-4-chloro-3-ethyl-1-benzothiophene
CID 131119385
6-bromo-4-chloro-3-methylsulfanyl-1-benzothiophene
CID 131002166
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
4-bromo-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130971687
4-(bromomethyl)-3-chloro-1-benzothiophen-6-amine
CID 130878499
(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
CID 130805825
3-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130878457
4-(bromomethyl)-6-chloro-1-benzothiophen-3-ol
CID 131031214
3-amino-6-fluoro-1-benzothiophen-4-ol
CID 130956346
3,6-dibromo-1-benzothiophene-4-carbaldehyde
CID 131138177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-1-benzothiophen-4-ol?
The IUPAC name of 6-bromo-3-chloro-1-benzothiophen-4-ol (CID 130925677) is 6-bromo-3-chloro-1-benzothiophen-4-ol.
What is the SMILES notation for 6-bromo-3-chloro-1-benzothiophen-4-ol?
The canonical SMILES for 6-bromo-3-chloro-1-benzothiophen-4-ol is Oc1cc(Br)cc2scc(Cl)c12.
What is the InChIKey of 6-bromo-3-chloro-1-benzothiophen-4-ol?
The InChIKey is JMGBASYFVGQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H.
What are the key properties of 6-bromo-3-chloro-1-benzothiophen-4-ol?
6-bromo-3-chloro-1-benzothiophen-4-ol has a molecular weight of 263.54 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-1-benzothiophen-4-ol is sourced from PubChem (CID 130925677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).