Basic information
- CAS
16121-39-4- Standard SMILES
O=C(C#Cc1ccccc1)C=Cc1ccccc1- InChIKey
MDUZBUIGEQDGQH-UHFFFAOYSA-N- Molecular formula
- C17H12O
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.088815
Names & identifiers
- Preferred name
- 1,5-Diphenyl-1-penten-4-yn-3-one
- IUPAC
- 1,5-diphenylpent-1-en-4-yn-3-one
Names & synonyms
Phenethynyl styryl ketone1,5-Diphenyl-1-penten-4-yn-3-one1-Penten-4-yn-3-one, 1,5-diphenyl-16121-39-4NSC 203153RefChem:2213641,5-diphenylpent-1-en-4-yn-3-oneDTXSID50864679AKOS030241922
Database identifiers
- CAS
16121-39-4- PubChem CID
- 99746
- DTXSID
DTXSID50864679
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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