4-Chloro-1,4-diphenylbutan-1-one
Basic information
- CAS
41819-40-3- Standard SMILES
O=C(CCC(Cl)c1ccccc1)c1ccccc1- InChIKey
VADIBDSSSJFNKP-UHFFFAOYSA-N- Molecular formula
- C16H15ClO
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.0811428
Names & identifiers
- Preferred name
- 4-Chloro-1,4-diphenylbutan-1-one
- IUPAC
- 4-chloro-1,4-diphenylbutan-1-one
Names & synonyms
41819-40-34-chloro-1,4-diphenylbutan-1-oneNSC401988SCHEMBL27913389DTXSID40322758NSC-401988
Database identifiers
- CAS
41819-40-3- PubChem CID
- 344858
- DTXSID
DTXSID40322758
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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