(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone

C12H8Cl2O2S — CID 80644949

IUPAC(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2sccc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2S/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeyFUDFBRYBOHTUFJ-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.29
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone

(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80644949) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80644949
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2sccc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2S/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeyFUDFBRYBOHTUFJ-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone 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-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone (CID 80644949) is (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone is COc1ccc(C(=O)c2sccc2Cl)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is FUDFBRYBOHTUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 287.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80644949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).