3-(2-bromophenyl)-1-phenylpropan-1-one

C15H13BrO — CID 11358208

IUPAC3-(2-bromophenyl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H13BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyAJPOMSPWNAGXSG-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.26
Rot. Bonds4

About 3-(2-bromophenyl)-1-phenylpropan-1-one

3-(2-bromophenyl)-1-phenylpropan-1-one (PubChem CID 11358208) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-phenylpropan-1-one
PubChem CID11358208
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name3-(2-bromophenyl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H13BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyAJPOMSPWNAGXSG-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-phenyl-3-(2-phenylphenyl)propan-1-one
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4-(2-bromophenyl)-1-hydroxybutan-2-one
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3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
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4-bromo-2,3-dihydroinden-1-one;3-(2-bromophenyl)propanoic acid
CID 162196024
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957
5-(2-bromophenyl)-1-(4-nitrophenyl)pentane-1,3-dione
CID 56933864
methyl 4-(2-bromophenyl)-2-oxobutanoate
CID 18370164
3-(5-bromothiophen-2-yl)-1-phenylpropan-1-one
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4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-bromophenyl)-1-phenylpropan-1-one (CID 11358208) is 3-(2-bromophenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-bromophenyl)-1-phenylpropan-1-one is O=C(CCc1ccccc1Br)c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-1-phenylpropan-1-one?
The InChIKey is AJPOMSPWNAGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H,10-11H2.
What are the key properties of 3-(2-bromophenyl)-1-phenylpropan-1-one?
3-(2-bromophenyl)-1-phenylpropan-1-one has a molecular weight of 289.17 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 11358208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).