1-(4-bromophenyl)-3-phenylbutan-1-one

C16H15BrO — CID 143974800

IUPAC1-(4-bromophenyl)-3-phenylbutan-1-one
SMILESCC(CC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrO/c1-12(13-5-3-2-4-6-13)11-16(18)14-7-9-15(17)10-8-14/h2-10,12H,11H2,1H3
InChIKeyQZCQNJFEMFLDEW-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.83
Rot. Bonds4

About 1-(4-bromophenyl)-3-phenylbutan-1-one

1-(4-bromophenyl)-3-phenylbutan-1-one (PubChem CID 143974800) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenylbutan-1-one
PubChem CID143974800
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(4-bromophenyl)-3-phenylbutan-1-one
SMILESCC(CC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrO/c1-12(13-5-3-2-4-6-13)11-16(18)14-7-9-15(17)10-8-14/h2-10,12H,11H2,1H3
InChIKeyQZCQNJFEMFLDEW-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromophenyl)-2-methyl-1-phenylbutane-1,4-dione
CID 173018498
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
(3S)-1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropan-1-one
CID 102126305
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 58351071
(3S)-1-(4-bromophenyl)-3-methylhexane-1,5-dione
CID 51567159
[3-(4-bromophenyl)-3-oxo-1-phenylpropyl] sulfite
CID 91025457
N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
CID 58417651
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
4-(4-bromophenyl)-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
CID 139603747

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenylbutan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-phenylbutan-1-one (CID 143974800) is 1-(4-bromophenyl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-phenylbutan-1-one is CC(CC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-phenylbutan-1-one?
The InChIKey is QZCQNJFEMFLDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-12(13-5-3-2-4-6-13)11-16(18)14-7-9-15(17)10-8-14/h2-10,12H,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-phenylbutan-1-one?
1-(4-bromophenyl)-3-phenylbutan-1-one has a molecular weight of 303.20 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenylbutan-1-one is sourced from PubChem (CID 143974800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).