Basic information
- CAS
38940-37-3- Standard SMILES
C#CCC(C(=O)c1ccccc1)c1ccccc1- InChIKey
XMRCGIXNEFRKLH-UHFFFAOYSA-N- Molecular formula
- C17H14O
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.10446507
Names & identifiers
- Preferred name
- 4-Pentynophenone, 2-phenyl-
- IUPAC
- 1,2-diphenylpent-4-yn-1-one
- English name
- 2-Phenylpentynophenone
- Molecular formula
- C17H14O
- Molecular weight
- 234.29
Names & synonyms
38940-37-34-Pentynophenone, 2-phenyl-RefChem:10713861,2-diphenylpent-4-yn-1-oneDeoxy(2-propynyl)benzoinBRN 2272444Benzoin, deoxy-alpha-(2-propynyl)-DTXSID509597762-Phenylpentynophenone1,2-Diphenyl-4-pentyn-1-one
Database identifiers
- CAS
38940-37-3- PubChem CID
- 217577
- DTXSID
DTXSID50959776- Nikkaji
- J49.983H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 59 · 59-61 °C
- Boiling point
- 376.673 · 376.673±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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