1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone

C16H14BrClO — CID 115565854

IUPAC1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)13-3-4-15(18)14(17)9-13/h3-7,9H,8H2,1-2H3
InChIKeyHFRLOLCBZUWXBD-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.14
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone

1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 115565854) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID115565854
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)13-3-4-15(18)14(17)9-13/h3-7,9H,8H2,1-2H3
InChIKeyHFRLOLCBZUWXBD-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)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

1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
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
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
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-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (CID 115565854) is 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is HFRLOLCBZUWXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)13-3-4-15(18)14(17)9-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 337.64 g/mol, XLogP of 5.14, 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-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 115565854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).