2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone

C14H12BrClO2S — CID 103407677

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H12BrClO2S/c1-8-7-19-14(13(8)16)12(17)6-9-5-10(18-2)3-4-11(9)15/h3-5,7H,6H2,1-2H3
InChIKeyPAYSWGMDSXOAKW-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone (PubChem CID 103407677) has the molecular formula C14H12BrClO2S and a molecular weight of 359.67 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
PubChem CID103407677
Molecular FormulaC14H12BrClO2S
Molecular Weight359.67 g/mol
Exact Mass357.94
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H12BrClO2S/c1-8-7-19-14(13(8)16)12(17)6-9-5-10(18-2)3-4-11(9)15/h3-5,7H,6H2,1-2H3
InChIKeyPAYSWGMDSXOAKW-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-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

Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116585868
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone (CID 103407677) is 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone is COc1ccc(Br)c(CC(=O)c2scc(C)c2Cl)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone?
The InChIKey is PAYSWGMDSXOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2S/c1-8-7-19-14(13(8)16)12(17)6-9-5-10(18-2)3-4-11(9)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone has a molecular weight of 359.67 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 103407677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).