1-(2-bromo-4-chloro-6-methylphenyl)ethanone

C9H8BrClO — CID 131308865

IUPAC1-(2-bromo-4-chloro-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)cc1Br
InChIInChI=1S/C9H8BrClO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3
InChIKeyCQJYMYQGSKGSBW-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.61
Rot. Bonds1

About 1-(2-bromo-4-chloro-6-methylphenyl)ethanone

1-(2-bromo-4-chloro-6-methylphenyl)ethanone (PubChem CID 131308865) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-6-methylphenyl)ethanone
PubChem CID131308865
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name1-(2-bromo-4-chloro-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)cc1Br
InChIInChI=1S/C9H8BrClO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3
InChIKeyCQJYMYQGSKGSBW-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

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Related Compounds

1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
CID 131623551
1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
CID 53402494
ethyl 2-bromo-4,6-dichlorobenzoate
CID 165358373
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 131313188
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
2-bromo-4-chloro-6-methylaniline
CID 20543754
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
CID 82607397
1-(5-chloro-2-iodo-3-methylphenyl)ethanone
CID 171003749

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-chloro-6-methylphenyl)ethanone (CID 131308865) is 1-(2-bromo-4-chloro-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chloro-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-chloro-6-methylphenyl)ethanone is CC(=O)c1c(C)cc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chloro-6-methylphenyl)ethanone?
The InChIKey is CQJYMYQGSKGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-(2-bromo-4-chloro-6-methylphenyl)ethanone?
1-(2-bromo-4-chloro-6-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-(2-bromo-4-chloro-6-methylphenyl)ethanone is sourced from PubChem (CID 131308865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).