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Molecule
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 Mass
- 148.20 g/mol
Identifiers
CAS Registry Number
1125-78-6
SMILES
Oc1ccc2c(c1)CCCC2
InChI Key
UMKXSOXZAXIOPJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
Names and Synonyms
- 5,6,7,8-Tetrahydro-2-Naphthol Synonym
- 2-Naphthalenol, 5,6,7,8-tetrahydro- Synonym
- 6-Tetralinol Synonym
- 6-Hydroxytetralin Synonym
- 5,6,7,8-Tetrahydro-2-hydroxynaphthalene Synonym
- 2-Hydroxy-5,6,7,8-tetrahydronaphthalene Synonym
- 5,6,7,8-Tetrahydronaphthalen-2-ol Synonym
- NSC 65604 Synonym
- 6-Hydroxy-1,2,3,4-tetrahydronaphthalene Synonym
- 2-Naphthol, 5,6,7,8-tetrahydro- Synonym
- 5,6,7,8-Tetrahydro-2-naphthalenol Synonym
- 5,6,7,8-Tetrahydro-2-naphthol Synonym
- 5,6,7,8-Tetrahydro-β-naphthol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.20 g/mol | CAS Common Chemistry |
| 148.20499999999998 g/mol | RDKit | |
| 148.205 g/mol | RDKit | |
| Boiling Point | 275.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C2C(=C1)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UMKXSOXZAXIOPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57 °C | CAS Common Chemistry |
| Name | 5,6,7,8-Tetrahydro-2-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.271 | RDKit |
| 2.29 | chempirical lib | |
| Molar Refractivity | 44.748800000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 148.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 148.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O.
