(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol

C9H6BrClOS — CID 130792540

IUPAC(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(Br)csc2c1Cl
InChIInChI=1S/C9H6BrClOS/c10-7-4-13-9-6(7)2-1-5(3-12)8(9)11/h1-2,4,12H,3H2
InChIKeyBQYPDFZQBRUMSN-UHFFFAOYSA-N
MW277.57 g/mol
LogP3.81
Rot. Bonds1

About (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol

(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol (PubChem CID 130792540) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
PubChem CID130792540
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(Br)csc2c1Cl
InChIInChI=1S/C9H6BrClOS/c10-7-4-13-9-6(7)2-1-5(3-12)8(9)11/h1-2,4,12H,3H2
InChIKeyBQYPDFZQBRUMSN-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
6-(bromomethyl)-7-chloro-3-iodo-1-benzothiophene
CID 131053609
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
2-(3-bromo-7-hydroxy-1-benzothiophen-6-yl)acetonitrile
CID 130884377
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
3-bromo-7-(bromomethyl)-1-benzothiophen-6-ol
CID 131060149
[3-amino-7-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130914343
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
3-bromo-7-(chloromethyl)-1-benzothiophene-6-thiol
CID 131030892
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131000562

Frequently Asked Questions

What is the IUPAC name of (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol?
The IUPAC name of (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol (CID 130792540) is (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol is OCc1ccc2c(Br)csc2c1Cl.
What is the InChIKey of (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol?
The InChIKey is BQYPDFZQBRUMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c10-7-4-13-9-6(7)2-1-5(3-12)8(9)11/h1-2,4,12H,3H2.
What are the key properties of (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol?
(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol has a molecular weight of 277.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-7-chloro-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130792540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).