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

C15H12BrClO — CID 113397199

IUPAC2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C15H12BrClO/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyPXCMFECEOSUOMV-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.84
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone (PubChem CID 113397199) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
PubChem CID113397199
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C15H12BrClO/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyPXCMFECEOSUOMV-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

2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 115566108
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(4-chloro-3-methylphenyl)-4-methylpent-4-en-1-one
CID 115802948
4-(4-chloro-3-methylphenyl)-4-oxobutanenitrile
CID 93213479

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone (CID 113397199) is 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone is Cc1cc(C(=O)Cc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone?
The InChIKey is PXCMFECEOSUOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-8-12(4-7-14(10)17)15(18)9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone?
2-(4-bromophenyl)-1-(4-chloro-3-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 2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone is sourced from PubChem (CID 113397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).