1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone

C15H12BrClO — CID 81110989

IUPAC1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12BrClO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyPQNFUDOCYYGWMU-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone

1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 81110989) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
PubChem CID81110989
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12BrClO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyPQNFUDOCYYGWMU-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

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774
1-(2-bromo-5-methylphenyl)-2-(4-nitrophenyl)ethanone
CID 81110987
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
2-bromo-N-[1-(4-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109562
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone (CID 81110989) is 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone is Cc1ccc(Br)c(C(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is PQNFUDOCYYGWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)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-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 81110989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).