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4-Cyclohexylphenol
CAS: 1131-60-8 | C12H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1131-60-8
Molecular Formula:
C12H16O
Molecular Mass:
176.26 g/mol
Names and Synonyms:
4-Cyclohexylphenol
Phenol, 4-cyclohexyl-
Phenol, p-cyclohexyl-
4-Cyclohexylphenol
p-Cyclohexylphenol
p-Hydroxyphenylcyclohexane
NSC 5245
Identifiers:
SMILES:
Oc1ccc(C2CCCCC2)cc1
InChI:
InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
Key Properties
Boiling Point
294 °C
CAS Common Chemistry
Melting Point
133 °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 |
| 176.259 g/mol | RDKit | |
| 176.120115132 g/mol | RDKit | |
| Boiling Point | 294 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OAHMVZYHIJQTQC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | 4-Cyclohexylphenol | 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 | 3.4399000000000015 | RDKit |
| Molar Refractivity | 53.932800000000036 | RDKit |
