Basic information
- CAS
21772-11-2- Standard SMILES
O=C(C#Cc1ccccc1)Cc1ccccc1- InChIKey
IWCMRVFONGZPMZ-UHFFFAOYSA-N- Molecular formula
- C16H12O
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.088815
Names & identifiers
- Preferred name
- 1,4-Diphenylbut-3-yn-2-one
- IUPAC
- 1,4-diphenylbut-3-yn-2-one
Names & synonyms
1,4-diphenylbut-3-yn-2-one21772-11-2DTXSID10396204RefChem:220817DTXCID00347063SCHEMBL28479005
Database identifiers
- CAS
21772-11-2- PubChem CID
- 3772076
- DTXSID
DTXSID10396204- Nikkaji
- J1.331.869G
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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