1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone

C12H9ClOS — CID 107360534

IUPAC1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2sccc2Cl)cc1
InChIInChI=1S/C12H9ClOS/c1-8(14)9-2-4-10(5-3-9)12-11(13)6-7-15-12/h2-7H,1H3
InChIKeyLKQGXGIMTUMXCR-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.27
Rot. Bonds2

About 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone

1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone (PubChem CID 107360534) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
PubChem CID107360534
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2sccc2Cl)cc1
InChIInChI=1S/C12H9ClOS/c1-8(14)9-2-4-10(5-3-9)12-11(13)6-7-15-12/h2-7H,1H3
InChIKeyLKQGXGIMTUMXCR-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-chlorothiophen-2-yl)phenyl]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-[4-(3-chlorothiophen-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone (CID 107360534) is 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2sccc2Cl)cc1.
What is the InChIKey of 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone?
The InChIKey is LKQGXGIMTUMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8(14)9-2-4-10(5-3-9)12-11(13)6-7-15-12/h2-7H,1H3.
What are the key properties of 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone?
1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone has a molecular weight of 236.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone is sourced from PubChem (CID 107360534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).