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5,6,7,8-Tetrahydro-1-Naphthol
CAS: 529-35-1 | C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
529-35-1
Molecular Formula:
C10H12O
Molecular Weight:
148.20499999999998 g/mol
Names and Synonyms:
5,6,7,8-Tetrahydro-1-Naphthol
1-Naphthalenol, 5,6,7,8-tetrahydro-
1-Naphthol, 5,6,7,8-tetrahydro-
5,6,7,8-Tetrahydro-1-naphthalenol
5-Hydroxytetralin
5,6,7,8-Tetrahydro-1-naphthol
Tetrahydro-α-naphthol
5,6,7,8-Tetrahydro-α-naphthol
5,6,7,8-Tetrahydronaphthalen-1-ol
5,6,7,8-Tetrahydro-1-hydroxynaphthalene
1-Hydroxy-5,6,7,8-tetrahydronaphthalene
1,2,3,4-Tetrahydro-5-hydroxynaphthalene
NSC 28822
1,2,3,4-Tetrahydro-5-naphthol
Tetralin-5-ol
5,6,7,8-Tetrahydronaphthol
1,2,3,4-Tetrahydronaphthalen-5-ol
Identifiers:
SMILES:
Oc1cccc2c1CCCC2
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
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 | 2.271000000000001 | RDKit |
| molecular_mass | 148.20 g/mol | Legacy Database |
| cas-boiling-point | 266 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC2=C1CCCC2 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=SCWNNOCLLOHZIG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 70 °C None | Legacy Database |
| cas-name | 5,6,7,8-Tetrahydro-1-naphthol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.748800000000024 | RDKit |
