1-(2,4-Dimethoxyphenyl)-3-phenyl-1,3-propanedione
Basic information
- CAS
80370-26-9- Standard SMILES
COc1ccc(C(=O)CC(=O)c2ccccc2)c(OC)c1- InChIKey
AEEAKBXAXKZQPA-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 1-(2,4-Dimethoxyphenyl)-3-phenyl-1,3-propanedione
- IUPAC
- 1-(2,4-dimethoxyphenyl)-3-phenylpropane-1,3-dione
Names & synonyms
1-(2,4-Dimethoxyphenyl)-3-phenyl-1,3-propanedione1-(2,4-dimethoxyphenyl)-3-phenylpropane-1,3-dioneNSC75523NCIOpen2_004651DTXSID501001193NSC 75523NSC-75523DS-0079341-(2,4-Dimethoxyphenyl)-3-phenyl-propane-1,3-dione1,3-Propanedione, 1-(2,4-dimethoxyphenyl)-3-phenyl-
Database identifiers
- CAS
80370-26-9- PubChem CID
- 96465
- DTXSID
DTXSID501001193- Nikkaji
- J461.389I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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