3-chloro-6-ethyl-1-benzothiophen-7-ol

C10H9ClOS — CID 130865255

IUPAC3-chloro-6-ethyl-1-benzothiophen-7-ol
SMILESCCc1ccc2c(Cl)csc2c1O
InChIInChI=1S/C10H9ClOS/c1-2-6-3-4-7-8(11)5-13-10(7)9(6)12/h3-5,12H,2H2,1H3
InChIKeyIJYMVTJDUAHXPK-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.82
Rot. Bonds1

About 3-chloro-6-ethyl-1-benzothiophen-7-ol

3-chloro-6-ethyl-1-benzothiophen-7-ol (PubChem CID 130865255) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 3-chloro-6-ethyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name3-chloro-6-ethyl-1-benzothiophen-7-ol
PubChem CID130865255
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name3-chloro-6-ethyl-1-benzothiophen-7-ol
SMILESCCc1ccc2c(Cl)csc2c1O
InChIInChI=1S/C10H9ClOS/c1-2-6-3-4-7-8(11)5-13-10(7)9(6)12/h3-5,12H,2H2,1H3
InChIKeyIJYMVTJDUAHXPK-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-ethyl-1-benzothiophen-7-ol 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

3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
CID 130985190
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
5-(bromomethyl)-3-chloro-6-ethyl-1-benzothiophene
CID 130840069
3-chloro-6-ethyl-1-benzothiophene
CID 91757441
2-(3-bromo-7-hydroxy-1-benzothiophen-6-yl)acetonitrile
CID 130884377
7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
CID 131029361
7-chloro-3-ethyl-1-benzothiophene-6-carbonitrile
CID 130971755
4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
CID 131123131
4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
CID 130792308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-1-benzothiophen-7-ol?
The IUPAC name of 3-chloro-6-ethyl-1-benzothiophen-7-ol (CID 130865255) is 3-chloro-6-ethyl-1-benzothiophen-7-ol.
What is the SMILES notation for 3-chloro-6-ethyl-1-benzothiophen-7-ol?
The canonical SMILES for 3-chloro-6-ethyl-1-benzothiophen-7-ol is CCc1ccc2c(Cl)csc2c1O.
What is the InChIKey of 3-chloro-6-ethyl-1-benzothiophen-7-ol?
The InChIKey is IJYMVTJDUAHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-2-6-3-4-7-8(11)5-13-10(7)9(6)12/h3-5,12H,2H2,1H3.
What are the key properties of 3-chloro-6-ethyl-1-benzothiophen-7-ol?
3-chloro-6-ethyl-1-benzothiophen-7-ol has a molecular weight of 212.70 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).