1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one

C15H12Br2O — CID 174671177

IUPAC1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H12Br2O/c1-2-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9H,2H2,1H3
InChIKeyGHTKDUDBNOBLRU-UHFFFAOYSA-N
MW368.07 g/mol
LogP5.47
Rot. Bonds3

About 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one

1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one (PubChem CID 174671177) has the molecular formula C15H12Br2O and a molecular weight of 368.07 g/mol. Its IUPAC name is 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one
PubChem CID174671177
Molecular FormulaC15H12Br2O
Molecular Weight368.07 g/mol
Exact Mass365.93
IUPAC Name1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H12Br2O/c1-2-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9H,2H2,1H3
InChIKeyGHTKDUDBNOBLRU-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.07
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-[6-(3-bromo-4-propanoylphenyl)naphthalen-2-yl]acetaldehyde
CID 174669188
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CID 174296719
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
ethyl 2,5-dibromo-4-propanoylbenzoate
CID 142541176
4-bromo-3-propanoylbenzoic acid
CID 118834236
1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
CID 118852695
1-(4-bromo-2,3-difluorophenyl)propan-1-one
CID 174816220
1-(2,4-dibromophenyl)-3-methylhexan-1-one
CID 107944387
1-(2,4-dibromophenyl)-4-methylpent-4-en-1-one
CID 107944764
1-(2,4-dibromophenyl)pent-4-en-1-one
CID 107944518
1-(2-bromo-5-phenylphenyl)butan-1-one
CID 83988643
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one?
The IUPAC name of 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one (CID 174671177) is 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one?
The InChIKey is GHTKDUDBNOBLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O/c1-2-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9H,2H2,1H3.
What are the key properties of 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one?
1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one has a molecular weight of 368.07 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(4-bromophenyl)phenyl]propan-1-one is sourced from PubChem (CID 174671177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).