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Molecule
5,6,7,8-Tetrahydro-1-Naphthol
CAS: 529-35-1 · C10H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 529-35-1
- Molecular Formula
- C10H12O
- Molecular Mass
- 148.20 g/mol
Identifiers
CAS Registry Number
529-35-1
SMILES
Oc1cccc2c1CCCC2
InChI Key
SCWNNOCLLOHZIG-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
Names and Synonyms
- 5,6,7,8-Tetrahydro-1-Naphthol Synonym
- 1-Naphthalenol, 5,6,7,8-tetrahydro- Synonym
- 1-Naphthol, 5,6,7,8-tetrahydro- Synonym
- 5,6,7,8-Tetrahydro-1-naphthalenol Synonym
- 5-Hydroxytetralin Synonym
- 5,6,7,8-Tetrahydro-1-naphthol Synonym
- Tetrahydro-α-naphthol Synonym
- 5,6,7,8-Tetrahydro-α-naphthol Synonym
- 5,6,7,8-Tetrahydronaphthalen-1-ol Synonym
- 5,6,7,8-Tetrahydro-1-hydroxynaphthalene Synonym
- 1-Hydroxy-5,6,7,8-tetrahydronaphthalene Synonym
- 1,2,3,4-Tetrahydro-5-hydroxynaphthalene Synonym
- NSC 28822 Synonym
- 1,2,3,4-Tetrahydro-5-naphthol Synonym
- Tetralin-5-ol Synonym
- 5,6,7,8-Tetrahydronaphthol Synonym
- 1,2,3,4-Tetrahydronaphthalen-5-ol 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 | 266 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC2=C1CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SCWNNOCLLOHZIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | 5,6,7,8-Tetrahydro-1-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 | 2.271000000000001 | RDKit |
| 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
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
