Basic information
- CAS
82-64-4- Standard SMILES
O=C(c1ccccc1)c1ccc(O)c(C(=O)c2ccccc2)c1O- InChIKey
KOKLAVMEUFYRKV-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 2,4-Dibenzoylresorcinol
- IUPAC
- (3-benzoyl-2,4-dihydroxyphenyl)-phenylmethanone
- English name
- 2,4-Dibenzoylresorcinol
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
2,4-dibenzoylresorcinolXG8GN93SNFUNII-XG8GN93SNFCHEMBL36501482-64-41,1'-(2,4-Dihydroxy-1,3-phenylene)bis(1-phenylmethanone)Methanone, 1,1'-(2,4-dihydroxy-1,3-phenylene)bis(1-phenyl-1,1'-(2,4-Dihydroxy-1,3-phenylene)bis[1-phenylmethanone]Methanone, 1,1'-(2,4-dihydroxy-1,3-phenylene)bis[1-phenyl-2,4-DibenzoylresorcinSCHEMBL78196(3-benzoyl-2,6-dihydroxy-phenyl)-phenyl-methanone
Show more names
SCHEMBL29557032KOKLAVMEUFYRKV-UHFFFAOYSA-NBDBM50153034AKOS024336570Methanone, (3-benzoyl-2,6-dihydroxyphenyl)phenyl-
Database identifiers
- CAS
82-64-4- PubChem CID
- 522790
- ChEMBL
CHEMBL365014- UNII
- XG8GN93SNF
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 105 °C · 105°C
- Boiling point
- 471.3 · 471.3±45.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 5.6 · 5.60±0.50(Predicted)
- FDA UNII
- 8 GN93SNF · XG8GN93SNF
Chemistry & industry
Preparation methods
Preparationbtained by reaction of chromium trioxide –with angular meta benzotetraphenyldifur-furan in boiling acetic acid for 1 h, followed by saponification of the non-isolated keto ester formed with 10% sodium hydroxide in refluxing ethanol for 1.5 h.
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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