1,3-Diphenylbutan-2-one
Basic information
- CAS
13363-25-2- Standard SMILES
CC(C(=O)Cc1ccccc1)c1ccccc1- InChIKey
BSMVDNFEDSMAOC-UHFFFAOYSA-N- Molecular formula
- C16H16O
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.12011513
Names & identifiers
- Preferred name
- 1,3-Diphenylbutan-2-one
- IUPAC
- 1,3-diphenylbutan-2-one
Names & synonyms
1,3-diphenylbutan-2-oneDTXSID5032454113363-25-2RefChem:219092DTXCID80275658NSC406966SCHEMBL5431716NSC-406966
Database identifiers
- CAS
13363-25-2- PubChem CID
- 347994
- DTXSID
DTXSID50324541- Nikkaji
- J927.858C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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