1,2-Cyclohexanediol, 4-(1,1-dimethylethyl)-1-phenyl-, (1alpha,2alpha,4beta)-
Basic information
- CAS
4127-44-0- Standard SMILES
CC(C)(C)[C@H]1CC[C@@](O)(c2ccccc2)[C@H](O)C1- InChIKey
IRXRAJHRWGDOTL-SQWLQELKSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 1,2-Cyclohexanediol, 4-(1,1-dimethylethyl)-1-phenyl-, (1alpha,2alpha,4beta)-
- IUPAC
- (1R,2R,4S)-4-tert-butyl-1-phenylcyclohexane-1,2-diol
Names & synonyms
1,2-Cyclohexanediol, 4-(1,1-dimethylethyl)-1-phenyl-, (1alpha,2alpha,4beta)-4127-44-0(1R,2R,4S)-4-tert-butyl-1-phenylcyclohexane-1,2-diolDTXSID30194183
Database identifiers
- CAS
4127-44-0- PubChem CID
- 6451707
- DTXSID
DTXSID30194183- Nikkaji
- J1.194.455H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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