Basic information
- CAS
5454-33-1- Standard SMILES
COc1ccc(C(Cc2ccccc2)C(C)=O)cc1- InChIKey
QOOIXKYFDUCJIB-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-4-phenylbutan-2-one
- IUPAC
- 3-(4-methoxyphenyl)-4-phenylbutan-2-one
- English name
- 3-(4-methoxyphenyl)-4-phenyl-butan-2-one
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
5454-33-13-(4-methoxyphenyl)-4-phenylbutan-2-oneNSC23027SCHEMBL13243493DTXSID00281776NSC-230273-(4-methoxyphenyl)-4-phenyl-butan-2-one2-Butanone, 3-(4-methoxyphenyl)-4-phenyl-
Database identifiers
- CAS
5454-33-1- PubChem CID
- 229367
- DTXSID
DTXSID00281776
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…