1,3-Propanedione, 1-(2,5-dimethylphenyl)-3-phenyl-
Basic information
- CAS
63250-29-3- Standard SMILES
Cc1ccc(C)c(C(=O)CC(=O)c2ccccc2)c1- InChIKey
RNKQXTNGHNLQBA-UHFFFAOYSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.11502975
Names & identifiers
- Preferred name
- 1,3-Propanedione, 1-(2,5-dimethylphenyl)-3-phenyl-
- IUPAC
- 1-(2,5-dimethylphenyl)-3-phenylpropane-1,3-dione
Names & synonyms
63250-29-31,3-Propanedione, 1-(2,5-dimethylphenyl)-3-phenyl-SCHEMBL2691451-(2,5-DIMETHYLPHENYL)-3-PHENYLPROPANE-1,3-DIONEDTXSID20431615
Database identifiers
- CAS
63250-29-3- PubChem CID
- 9837892
- DTXSID
DTXSID20431615
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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