1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone

C13H10BrClOS — CID 114967563

IUPAC1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)14)12(16)7-9-5-6-13(15)17-9/h2-6H,7H2,1H3
InChIKeyRUAPXYUBJRRPEW-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.90
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone

1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone (PubChem CID 114967563) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
PubChem CID114967563
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)14)12(16)7-9-5-6-13(15)17-9/h2-6H,7H2,1H3
InChIKeyRUAPXYUBJRRPEW-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-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-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
CID 114967517
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
1-(3-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448267
1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone (CID 114967563) is 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone is Cc1c(Br)cccc1C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is RUAPXYUBJRRPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-8-10(3-2-4-11(8)14)12(16)7-9-5-6-13(15)17-9/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone?
1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 329.65 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 114967563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).