1,3-Diphenylhexane-1,4-dione
Basic information
- CAS
80460-13-5- Standard SMILES
CCC(=O)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
ITGQJXIGMXQCJD-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 1,3-Diphenylhexane-1,4-dione
- IUPAC
- 1,3-diphenylhexane-1,4-dione
Names & synonyms
1,3-Diphenylhexane-1,4-dione80460-13-5SCHEMBL435667DTXSID805090011,3-Diphenyl-hexane-1,4-dioneITGQJXIGMXQCJD-UHFFFAOYSA-N
Database identifiers
- CAS
80460-13-5- PubChem CID
- 12754753
- DTXSID
DTXSID80509001
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
Loading…