(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone

C14H13ClO2S — CID 43339476

IUPAC(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(C)sc1C
InChIInChI=1S/C14H13ClO2S/c1-8-6-11(9(2)18-8)14(16)12-7-10(15)4-5-13(12)17-3/h4-7H,1-3H3
InChIKeyIBBJVSFAVYPLIX-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.26
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone

(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43339476) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43339476
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(C)sc1C
InChIInChI=1S/C14H13ClO2S/c1-8-6-11(9(2)18-8)14(16)12-7-10(15)4-5-13(12)17-3/h4-7H,1-3H3
InChIKeyIBBJVSFAVYPLIX-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-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

(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 43339476) is (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone is COc1ccc(Cl)cc1C(=O)c1cc(C)sc1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is IBBJVSFAVYPLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-8-6-11(9(2)18-8)14(16)12-7-10(15)4-5-13(12)17-3/h4-7H,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 280.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43339476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).