1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone

C15H12BrClO — CID 106865689

IUPAC1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H12BrClO/c1-10-5-6-11(14(17)7-10)9-15(18)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3
InChIKeyAFXSKHFEPLOKRS-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.84
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone

1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone (PubChem CID 106865689) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
PubChem CID106865689
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H12BrClO/c1-10-5-6-11(14(17)7-10)9-15(18)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3
InChIKeyAFXSKHFEPLOKRS-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)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

1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106871319
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 106865778
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
1-(4-bromo-2-chlorophenyl)-3-(3-methylphenyl)propan-2-one
CID 113471183
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3-bromophenyl)butan-1-one
CID 18417701

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone (CID 106865689) is 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The InChIKey is AFXSKHFEPLOKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-5-6-11(14(17)7-10)9-15(18)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone has a molecular weight of 323.62 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 106865689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).