4-Tert-butyl-1-phenylcyclohexanol
Basic information
- CAS
17807-26-0- Standard SMILES
CC(C)(C)C1CCC(O)(c2ccccc2)CC1- InChIKey
ZNRSAQUSEPSLQP-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Names & identifiers
- Preferred name
- 4-Tert-butyl-1-phenylcyclohexanol
- IUPAC
- 4-tert-butyl-1-phenylcyclohexan-1-ol
- English name
- trans-1-Phenyl-4-tert-butylcyclohexanol
- Molecular formula
- C16H24O
- Molecular weight
- 232.36
Names & synonyms
4-Tert-butyl-1-phenylcyclohexanol19437-01-5DTXSID30326785RefChem:296369DTXCID202778984-tert-butyl-1-phenylcyclohexan-1-ol4-(TERT-BUTYL)-1-PHENYLCYCLOHEXANOL(1S,4s)-4-(tert-butyl)-1-phenylcyclohexanol17807-26-0NSC616258TRANS-1-PHENYL-4-TERT-BUTYLCYCLOHEXANOL4-Tert-Butyl-1-phenyl-cyclohexanol
Show more names
Cyclohexanol, 4-(1,1-dimethylethyl)-1-phenyl-
4-t-butyl-1-phenylcyclohexanolSCHEMBL1237348SCHEMBL1617743SCHEMBL1617745CHEMBL3349178ZNRSAQUSEPSLQP-UHFFFAOYSA-N4-tert-Butyl-1-phenylcyclohexanol #NSC-616258
Database identifiers
- CAS
17807-26-0、19437-01-5- PubChem CID
- 357428
- DTXSID
DTXSID30326785- ChEMBL
CHEMBL3349178- EC Number
- 106-147-8
- Nikkaji
- J1.817.189I、J995.598D、J995.599B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 337.503 · 337.503±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.506 · 14.506±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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