Basic information
- CAS
5398-64-1- Standard SMILES
O=C(C(=Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1- InChIKey
XWLSHEYUYYYBBQ-UHFFFAOYSA-N- Molecular formula
- C22H16O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.11502975
Names & identifiers
- Preferred name
- Benzylidene dibenzoylmethane
- IUPAC
- 2-benzylidene-1,3-diphenylpropane-1,3-dione
- English name
- Benzylidene dibenzoylmethane
- Molecular formula
- C22H16O2
- Molecular weight
- 312.36
Names & synonyms
Benzylidene dibenzoylmethane5398-64-1.alpha.-BenzoylchalconeNSC6381882-benzylidene-1,3-diphenylpropane-1,3-dioneDibenzoylstyrolNSC45292-benzylidene-1,3-diphenyl-propane-1,3-dione1,3-Propanedione, 2-benzylidene-1,3-diphenyl-1,3-Propanedione, 1,3-diphenyl-2-(phenylmethylene)-SCHEMBL10664130DTXSID60277857
Show more names
α-Benzoylchalcone1,3-Diphenyl-2-benzylidene-1,3-propanedione
XWLSHEYUYYYBBQ-UHFFFAOYSA-N1, 2-benzylidene-1,3-diphenyl-NSC-4529NSC-6381881, 1,3-diphenyl-2-(phenylmethylene)-2-Benzylidene-1,3-diphenyl-1,3-propanedione2-Benzylidene-1,3-diphenyl-1,3-propanedione #
Database identifiers
- CAS
5398-64-1- PubChem CID
- 220959
- DTXSID
DTXSID60277857- Nikkaji
- J111.453K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 487.4 · 487.4±45.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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