1-(5-Chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Basic information
- CAS
1218-24-2- Standard SMILES
O=C(C=Cc1ccccc1)c1cc(Cl)ccc1O- InChIKey
GVKYSLWFMZCXBQ-UHFFFAOYSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Names & synonyms
1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one5'-Chloro-2'-hydroxychalconeSCHEMBL10830021GVKYSLWFMZCXBQ-UHFFFAOYSA-NDTXSID6013087685a(2)-Chloro-2a(2)-hydroxychalconeAKOS0329613563-oxo-1-phenyl-3-(2'-hydroxy-5'-chlorophenyl)-propene
Database identifiers
- CAS
1218-24-2- PubChem CID
- 121065
- DTXSID
DTXSID601308768
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
4 records
Compound notes
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