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5,6,7,8-Tetrahydro-2-Naphthol
CAS: 1125-78-6 | C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1125-78-6
Molecular Formula:
C10H12O
Molecular Weight:
148.20499999999998 g/mol
Names and Synonyms:
5,6,7,8-Tetrahydro-2-Naphthol
2-Naphthalenol, 5,6,7,8-tetrahydro-
6-Tetralinol
6-Hydroxytetralin
5,6,7,8-Tetrahydro-2-hydroxynaphthalene
2-Hydroxy-5,6,7,8-tetrahydronaphthalene
5,6,7,8-Tetrahydronaphthalen-2-ol
NSC 65604
6-Hydroxy-1,2,3,4-tetrahydronaphthalene
2-Naphthol, 5,6,7,8-tetrahydro-
5,6,7,8-Tetrahydro-2-naphthalenol
5,6,7,8-Tetrahydro-2-naphthol
5,6,7,8-Tetrahydro-β-naphthol
Identifiers:
SMILES:
Oc1ccc2c(c1)CCCC2
InChI:
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.20499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.271 | RDKit |
| molecular_mass | 148.20 g/mol | Legacy Database |
| cas-boiling-point | 275.5 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=C2C(=C1)CCCC2 None | Legacy Database |
| cas-inchi | InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=UMKXSOXZAXIOPJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 57 °C None | Legacy Database |
| cas-name | 5,6,7,8-Tetrahydro-2-naphthol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.748800000000024 | RDKit |
