1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone

C15H12BrClO — CID 115565903

IUPAC1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H12BrClO/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9H,8H2,1H3
InChIKeyRKPYOEYNGAODQI-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.84
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone

1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 115565903) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
PubChem CID115565903
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H12BrClO/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9H,8H2,1H3
InChIKeyRKPYOEYNGAODQI-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-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 115566108
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
CID 126618585
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone (CID 115565903) is 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is RKPYOEYNGAODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone?
1-(3-bromo-4-chlorophenyl)-2-(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-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 115565903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).