Basic information
- CAS
25233-80-1- Standard SMILES
Cc1ccc(C(=O)C=CC(=O)c2ccccc2)cc1- InChIKey
XGLDFBYLSWWPQM-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 1-Phenyl-4-P-tolyl-but-2-ene-1,4-dione
- IUPAC
- 1-(4-methylphenyl)-4-phenylbut-2-ene-1,4-dione
Names & synonyms
1-PHENYL-4-P-TOLYL-BUT-2-ENE-1,4-DIONE25233-80-11-(4-methylphenyl)-4-phenylbut-2-ene-1,4-dioneDTXSID001280508AKOS0243383172-Butene-1,4-dione, 1-phenyl-4-p-tolyl-
Database identifiers
- CAS
25233-80-1- PubChem CID
- 3679516
- DTXSID
DTXSID001280508
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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