2-Bromo-1-(4-methoxy-phenyl)-4-phenyl-butan-1-one

HCID 86636633
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Basic information

Standard SMILES
COc1ccc(C(=O)C(Br)CCc2ccccc2)cc1
InChIKey
NFXSSUDBQIUEGL-UHFFFAOYSA-N
Molecular formula
C17H17BrO2
Average molar mass
333.2 g/mol

Names & identifiers

Preferred name
2-Bromo-1-(4-methoxy-phenyl)-4-phenyl-butan-1-one
IUPAC
2-bromo-1-(4-methoxyphenyl)-4-phenylbutan-1-one

Names & synonyms

SCHEMBL1303851NFXSSUDBQIUEGL-UHFFFAOYSA-N2-bromo-1-(4-methoxy-phenyl)-4-phenyl-butan-1-one

Database identifiers

PubChem CID
86636633

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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