Basic information
- CAS
63992-30-3- Standard SMILES
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2O)c(O)c1- InChIKey
ITTKJDWXXRDSQO-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- 2,2'-Biphenyldiol, 4,4'-di-tert-butyl-
- IUPAC
- 5-tert-butyl-2-(4-tert-butyl-2-hydroxyphenyl)phenol
- English name
- 4,4'-Di-tert-butyl-o,o'-biphenol
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
4,4'-Di-tert-butyl-o,o'-biphenol63992-30-32,2'-BIPHENYLDIOL, 4,4'-DI-tert-BUTYL-RefChem:2421784,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diolSCHEMBL340013SCHEMBL31411213DTXSID709818774,4'-Di-tert-butyl[1,1'-biphenyl]-2,2'-diol2,2'-Dihydroxy-4,4'-di-tert-butylbiphenyl4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl-2,2'-diol[1,1'-Biphenyl]-2,2'-diol, 4,4'-bis(1,1-dimethylethyl)-
Database identifiers
- CAS
63992-30-3- PubChem CID
- 46308
- DTXSID
DTXSID70981877- Nikkaji
- J79.024I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 190 · 190-191 °C(Solvent: Heptane)
- Boiling point
- 401.498 · 401.498±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.4 · 9.400±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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