2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone

C12H8Cl2OS — CID 95474216

IUPAC2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone
SMILESO=C(CCl)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H8Cl2OS/c13-7-10(15)12-6-5-11(16-12)8-3-1-2-4-9(8)14/h1-6H,7H2
InChIKeyJYLMNMTXNWDGCF-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.49
Rot. Bonds3

About 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone

2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone (PubChem CID 95474216) has the molecular formula C12H8Cl2OS and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone
PubChem CID95474216
Molecular FormulaC12H8Cl2OS
Molecular Weight271.17 g/mol
Exact Mass269.97
IUPAC Name2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone
SMILESO=C(CCl)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H8Cl2OS/c13-7-10(15)12-6-5-11(16-12)8-3-1-2-4-9(8)14/h1-6H,7H2
InChIKeyJYLMNMTXNWDGCF-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone (CID 95474216) is 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone is O=C(CCl)c1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone?
The InChIKey is JYLMNMTXNWDGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS/c13-7-10(15)12-6-5-11(16-12)8-3-1-2-4-9(8)14/h1-6H,7H2.
What are the key properties of 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone?
2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone has a molecular weight of 271.17 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 95474216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).