3-(3-Chlorophenyl)-1-phenylprop-2-en-1-one

HCID 95326

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Basic information

CAS: 5328-73-4
Standard SMILES: O=C(C=Cc1cccc(Cl)c1)c1ccccc1
InChIKey: XBFMSIZYORSEPA-UHFFFAOYSA-N
Molecular formula: C15H11ClO
Average molar mass: 242.7 g/mol
Monoisotopic mass: 242.0498427

Names & identifiers

Preferred name: 3-(3-Chlorophenyl)-1-phenylprop-2-en-1-one
IUPAC: 3-(3-chlorophenyl)-1-phenylprop-2-en-1-one

Names & synonyms

3-(3-chlorophenyl)-1-phenylprop-2-en-1-oneMLS0026376033-chlorobenzylideneacetophenoneSCHEMBL658684CHEMBL1728501XBFMSIZYORSEPA-UHFFFAOYSA-NDTXSID801316757HMS3091L11AKOS017085646SMR0015471313-(3-chlorophenyl)-1-phenyl-prop-2-en-1-one

Database identifiers

CAS: 5328-73-4
PubChem CID: 95326
DTXSID: DTXSID801316757
ChEMBL: CHEMBL1728501

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 279

Related reactions

2 records

New reaction record

HRID 1402884As productuspto-grants-2014_12

HRID 1729691As reactantuspto-grants-1976_11

Compound notes

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