Basic information
- CAS
10465-10-8- Standard SMILES
CC[C@H](c1ccc(O)c(C)c1)[C@@H](CC)c1ccc(O)c(C)c1- InChIKey
PYWBJEDBESDHNP-HDICACEKSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- o-CRESOL, 4,4'-(1,2-DIETHYLETHYLENE)DI-
- IUPAC
- 4-[(3S,4R)-4-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol
- English name
- 4,4'-[(1R,2S)-1,2-Diethylethylene]di(o-cresol)
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
10465-10-8BRN 2336462meso-3,4-Bis(4-hydroxy-3-methylphenyl)hexaneo-CRESOL, 4,4'-(1,2-DIETHYLETHYLENE)DI-3-06-00-05541 (Beilstein Handbook Reference)4,4'-[(1R,2S)-1,2-Diethylethylene]di(o-cresol)3,3'-Dimethylhexestrol4,4'-[(1R,2S)-1,2-Diethylethylene]bis(2-methylphenol)Phenol, 4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-methyl-, rel-
Database identifiers
- CAS
10465-10-8- PubChem CID
- 25296
- Nikkaji
- J152.209D
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 164 °C · 164 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 379.83 °C · 379.83°C (rough estimate)
- Density
- 1.0766 · 1.0766 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- pka
- 10.18 · 10.18±0.31(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…