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Molecule
(+)-Trans-2-Phenylcyclohexanol
CAS: 34281-92-0 · C12H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34281-92-0
- Molecular Formula
- C12H16O
- Molecular Mass
- 176.26 g/mol
Identifiers
CAS Registry Number
34281-92-0
SMILES
O[C@H]1CCCC[C@@H]1c1ccccc1
InChI Key
AAIBYZBZXNWTPP-NEPJUHHUSA-N
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
Names and Synonyms
- (+)-Trans-2-Phenylcyclohexanol Synonym
- Cyclohexanol, 2-phenyl-, (1S,2R)- Synonym
- Cyclohexanol, 2-phenyl-, (1S-trans)- Synonym
- Cyclohexanol, 2-phenyl-, (1S,2R)-(+)- Synonym
- (1S,2R)-2-Phenylcyclohexanol Synonym
- (+)-trans-2-Phenyl-1-cyclohexanol Synonym
- (1S,2R)-2-Phenyl-1-cyclohexanol Synonym
- (1S-trans)-2-Phenylcyclohexanol Synonym
- (+)-trans-2-Phenylcyclohexanol Synonym
- trans-(1S,2R)-2-Phenylcyclohexanol Synonym
- (1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.26 g/mol | CAS Common Chemistry |
| 176.25900000000001 g/mol | RDKit | |
| 176.259 g/mol | RDKit | |
| 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 |
| 2.7051 | RDKit | |
| Molar Refractivity | 53.657800000000044 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 176.120115132 g/mol | RDKit |
| Boiling Point | 141-143 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 176.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H16O.
