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(+)-Trans-2-Phenylcyclohexanol
CAS: 34281-92-0 | C12H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34281-92-0
Molecular Formula:
C12H16O
Molecular Mass:
176.26 g/mol
Names and Synonyms:
(+)-Trans-2-Phenylcyclohexanol
Cyclohexanol, 2-phenyl-, (1S,2R)-
Cyclohexanol, 2-phenyl-, (1S-trans)-
Cyclohexanol, 2-phenyl-, (1S,2R)-(+)-
(1S,2R)-2-Phenylcyclohexanol
(+)-trans-2-Phenyl-1-cyclohexanol
(1S,2R)-2-Phenyl-1-cyclohexanol
(1S-trans)-2-Phenylcyclohexanol
(+)-trans-2-Phenylcyclohexanol
trans-(1S,2R)-2-Phenylcyclohexanol
(1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol
Identifiers:
SMILES:
O[C@H]1CCCC[C@@H]1c1ccccc1
InChI:
InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m1/s1
Key Properties
Boiling Point
141-143 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
63.5-64.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.26 g/mol | CAS Common Chemistry |
| 176.25900000000001 g/mol | RDKit | |
| 176.120115132 g/mol | RDKit | |
| Boiling Point | 141-143 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CCCCC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AAIBYZBZXNWTPP-NEPJUHHUSA-N | CAS Common Chemistry |
| Melting Point | 63.5-64.5 °C | CAS Common Chemistry |
| Name | (+)-trans-2-Phenylcyclohexanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.7051000000000007 | RDKit |
| Molar Refractivity | 53.657800000000044 | RDKit |
