Basic information
- CAS
102468-57-5- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1- InChIKey
QHVMGGGKTZLMPS-UHFFFAOYSA-N- Molecular formula
- C22H16O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.10994437
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-[4-(benzoyloxy)phenyl]-3-phenyl-
- IUPAC
- [4-(3-phenylprop-2-enoyl)phenyl] benzoate
Names & synonyms
102468-57-52-Propen-1-one, 1-[4-(benzoyloxy)phenyl]-3-phenyl-DTXSID604050574-(3-PHENYLPROP-2-ENOYL)PHENYL BENZOATE
Database identifiers
- CAS
102468-57-5- PubChem CID
- 4636795
- DTXSID
DTXSID60405057
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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