Basic information
- CAS
57178-85-5- Standard SMILES
COc1ccc(C=CC(=O)c2ccccc2)cc1O- InChIKey
MSKJHPDSPSWNCA-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
- IUPAC
- 3-(3-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
Names & synonyms
57178-85-53-(3-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-oneSCHEMBL287398042-Propen-1-one, 3-(3-hydroxy-4-methoxyphenyl)-1-phenyl-DTXSID90853082AKOS030229019
Database identifiers
- CAS
57178-85-5- PubChem CID
- 71444293
- DTXSID
DTXSID90853082
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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