2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone

C14H9Br3O — CID 114019079

IUPAC2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3O/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8H,7H2
InChIKeyOQXRANCNBKNWNW-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.40
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone

2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone (PubChem CID 114019079) has the molecular formula C14H9Br3O and a molecular weight of 432.94 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
PubChem CID114019079
Molecular FormulaC14H9Br3O
Molecular Weight432.94 g/mol
Exact Mass429.82
IUPAC Name2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3O/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8H,7H2
InChIKeyOQXRANCNBKNWNW-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963763
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2,4-dibromobenzoic acid
CID 11896

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone (CID 114019079) is 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone is O=C(Cc1ccccc1Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone?
The InChIKey is OQXRANCNBKNWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3O/c15-10-5-6-11(13(17)8-10)14(18)7-9-3-1-2-4-12(9)16/h1-6,8H,7H2.
What are the key properties of 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone?
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone has a molecular weight of 432.94 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone is sourced from PubChem (CID 114019079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).