1,4-Diphenylbutane-2,3-dione
Basic information
- CAS
13832-10-5- Standard SMILES
O=C(Cc1ccccc1)C(=O)Cc1ccccc1- InChIKey
XKBQRCUXXCGCMC-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1,4-Diphenylbutane-2,3-dione
- IUPAC
- 1,4-diphenylbutane-2,3-dione
- English name
- NSC23513
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
1,4-diphenylbutane-2,3-dione13832-10-5DTXSID30281926RefChem:220818DTXCID702330801,4-diphenyl-2,3-butanedioneCHEMBL1812850biphenylacetylNSC23513SCHEMBL574185SCHEMBL75202331,4-diphenyl-butane-2,3-dione
Show more names
Diphenylethanone Impurity 32,3-Butanedione, 1,4-diphenyl-
Calcium Phenylpyruvate Impurity 7BDBM50350315NSC-23513AKOS000369742CS-0116905
Database identifiers
- CAS
13832-10-5- PubChem CID
- 229680
- DTXSID
DTXSID30281926- ChEMBL
CHEMBL1812850- Nikkaji
- J1.811.176D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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