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

C15H13BrO — CID 115503571

IUPAC1-[4-(2-bromophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C15H13BrO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChIKeyDSMKNXWSLJHNCX-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.71
Rot. Bonds3

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

1-[4-(2-bromophenyl)phenyl]propan-1-one (PubChem CID 115503571) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)phenyl]propan-1-one
PubChem CID115503571
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-[4-(2-bromophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C15H13BrO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChIKeyDSMKNXWSLJHNCX-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(2-bromophenyl)phenyl]propan-1-one (CID 115503571) is 1-[4-(2-bromophenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2-bromophenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(2-bromophenyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-[4-(2-bromophenyl)phenyl]propan-1-one?
The InChIKey is DSMKNXWSLJHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3.
What are the key properties of 1-[4-(2-bromophenyl)phenyl]propan-1-one?
1-[4-(2-bromophenyl)phenyl]propan-1-one has a molecular weight of 289.17 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)phenyl]propan-1-one is sourced from PubChem (CID 115503571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).