1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone

C11H9ClOS — CID 43155241

IUPAC1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2c(Cl)cccc2c1C
InChIInChI=1S/C11H9ClOS/c1-6-8-4-3-5-9(12)11(8)14-10(6)7(2)13/h3-5H,1-2H3
InChIKeyJTVIOSNFWXXECZ-UHFFFAOYSA-N
MW224.71 g/mol
LogP4.07
Rot. Bonds1

About 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone

1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone (PubChem CID 43155241) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
PubChem CID43155241
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2c(Cl)cccc2c1C
InChIInChI=1S/C11H9ClOS/c1-6-8-4-3-5-9(12)11(8)14-10(6)7(2)13/h3-5H,1-2H3
InChIKeyJTVIOSNFWXXECZ-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone (CID 43155241) is 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone is CC(=O)c1sc2c(Cl)cccc2c1C.
What is the InChIKey of 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The InChIKey is JTVIOSNFWXXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c1-6-8-4-3-5-9(12)11(8)14-10(6)7(2)13/h3-5H,1-2H3.
What are the key properties of 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone has a molecular weight of 224.71 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 43155241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).