Basic information
- CAS
38661-88-0- Standard SMILES
CC(=O)/C(=C/c1ccccc1)c1ccccc1- InChIKey
PXTNHINUEHWZIX-VBKFSLOCSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- (3E)-3,4-Diphenylbut-3-en-2-one
- IUPAC
- (E)-3,4-diphenylbut-3-en-2-one
Names & synonyms
NSC167327(3E)-3,4-Diphenylbut-3-en-2-oneSCHEMBL6172379DTXSID40465098e-3,4-diphenyl-3-buten-2-one(E)-3,4-diphenyl-but-3-en-2-oneNSC-167327
Database identifiers
- CAS
38661-88-0- PubChem CID
- 11413402
- DTXSID
DTXSID40465098- Nikkaji
- J1.436.617B、J1.656.524E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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