Basic information
- CAS
83677-22-9- Standard SMILES
CC(C)(C)c1cc(/C=C/C(=O)c2ccccc2)cc(C(C)(C)C)c1O- InChIKey
MQLALXSEENATJA-OUKQBFOZSA-N- Molecular formula
- C23H28O2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.20893013
Names & identifiers
- Preferred name
- 2-Propen-1-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1-phenyl-
- IUPAC
- (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
- English name
- 2-Propen-1-one, 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-phenyl-
- Molecular formula
- C23H28O2
- Molecular weight
- 336.47
Names & synonyms
83677-22-92-Propen-1-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1-phenyl-RefChem:1064430beta-Benzoyl-3,5-di-tert-butyl-4-hydroxystyrene4-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1-phenyl-2-propen-1-oneSCHEMBL11096408AKOS0027002023-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-PHENYL-PROPENONE2-Propen-1-one, 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-phenyl-
Database identifiers
- CAS
83677-22-9- PubChem CID
- 6137933
- Nikkaji
- J751.658D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 184 · 184-187 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 436.8 · 436.8±37.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.70(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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