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

C16H14BrClO — CID 114026774

IUPAC1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(18)3-4-15(14)17/h3-7,9H,8H2,1-2H3
InChIKeyIUBPAZMJERYKPY-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.14
Rot. Bonds3

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

1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 114026774) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID114026774
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(18)3-4-15(14)17/h3-7,9H,8H2,1-2H3
InChIKeyIUBPAZMJERYKPY-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

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (CID 114026774) is 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2cc(Cl)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is IUBPAZMJERYKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(18)3-4-15(14)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(2-bromo-5-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-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114026774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).