1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone

C16H14Br2O — CID 114019091

IUPAC1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C16H14Br2O/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyHBGFTYLMBWBTND-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.25
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone

1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 114019091) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID114019091
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C16H14Br2O/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyHBGFTYLMBWBTND-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 63410576

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone (CID 114019091) is 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(Br)cc2Br)cc1C.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is HBGFTYLMBWBTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-10-3-4-12(7-11(10)2)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone?
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 382.10 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 114019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).