1-([1,1'-Biphenyl]-4-yl)butane-1,3-dione
Basic information
- CAS
7642-25-3- Standard SMILES
CC(=O)CC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
XKNFHAOFFCVXBE-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1-([1,1'-Biphenyl]-4-yl)butane-1,3-dione
- IUPAC
- 1-(4-phenylphenyl)butane-1,3-dione
Names & synonyms
7642-25-31,3-Butanedione,1-[1,1'-biphenyl]-4-yl-1-(4-phenylphenyl)butane-1,3-dione1-([1,1'-Biphenyl]-4-yl)butane-1,3-dione1-(biphenyl-4-yl)butane-1,3-dioneNSC17545SCHEMBL800972DTXSID10280598HAA64225MFCD09996762NSC-17545AKOS005876164
Database identifiers
- CAS
7642-25-3- PubChem CID
- 226780
- DTXSID
DTXSID10280598- Nikkaji
- J1.815.254A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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