1-(6-bromo-2-chloro-3-methylphenyl)ethanone

C9H8BrClO — CID 131313188

IUPAC1-(6-bromo-2-chloro-3-methylphenyl)ethanone
SMILESCC(=O)c1c(Br)ccc(C)c1Cl
InChIInChI=1S/C9H8BrClO/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4H,1-2H3
InChIKeyAFMHOPXDJAYASK-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.61
Rot. Bonds1

About 1-(6-bromo-2-chloro-3-methylphenyl)ethanone

1-(6-bromo-2-chloro-3-methylphenyl)ethanone (PubChem CID 131313188) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 1-(6-bromo-2-chloro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2-chloro-3-methylphenyl)ethanone
PubChem CID131313188
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name1-(6-bromo-2-chloro-3-methylphenyl)ethanone
SMILESCC(=O)c1c(Br)ccc(C)c1Cl
InChIInChI=1S/C9H8BrClO/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4H,1-2H3
InChIKeyAFMHOPXDJAYASK-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-bromo-2-chloro-3-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

2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
1-(6-bromo-2-chloro-3-nitrophenyl)ethanone
CID 131490838
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067
1-(2-bromo-4-chloro-6-methylphenyl)ethanone
CID 131308865
1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
CID 131612949
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
3-acetyl-2-chloro-4-methylbenzaldehyde
CID 171003597
2-acetyl-3,6-dibromobenzaldehyde
CID 171008507
2-amino-6-bromo-3-methylbenzoic acid
CID 43629002

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-chloro-3-methylphenyl)ethanone?
The IUPAC name of 1-(6-bromo-2-chloro-3-methylphenyl)ethanone (CID 131313188) is 1-(6-bromo-2-chloro-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(6-bromo-2-chloro-3-methylphenyl)ethanone?
The canonical SMILES for 1-(6-bromo-2-chloro-3-methylphenyl)ethanone is CC(=O)c1c(Br)ccc(C)c1Cl.
What is the InChIKey of 1-(6-bromo-2-chloro-3-methylphenyl)ethanone?
The InChIKey is AFMHOPXDJAYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4H,1-2H3.
What are the key properties of 1-(6-bromo-2-chloro-3-methylphenyl)ethanone?
1-(6-bromo-2-chloro-3-methylphenyl)ethanone has a molecular weight of 247.52 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-chloro-3-methylphenyl)ethanone is sourced from PubChem (CID 131313188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).