Back to Search
Molecule
1,2,3,4-Tetrahydro-2-Naphthalenol
CAS: 530-91-6 · C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 530-91-6
- Molecular Formula
- C10H12O
- Molecular Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
530-91-6
SMILES
OC1CCc2ccccc2C1
InChI Key
JWQYZECMEPOAPF-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2
Names and Synonyms
- 1,2,3,4-Tetrahydro-2-Naphthalenol Synonym
- 2-Naphthalenol, 1,2,3,4-tetrahydro- Synonym
- 2-Naphthol, 1,2,3,4-tetrahydro- Synonym
- 1,2,3,4-Tetrahydro-2-naphthalenol Synonym
- 1,2,3,4-Tetrahydro-2-naphthol Synonym
- β-Tetralol Synonym
- 2-Hydroxytetralin Synonym
- 2-Tetralinol Synonym
- 2-Tetralol Synonym
- 2-Hydroxy-1,2,3,4-tetrahydronaphthalene Synonym
- (±)-1,2,3,4-Tetrahydro-2-naphthol Synonym
- NSC 44875 Synonym
- NSC 5669 Synonym
- 1,2,3,4-Tetrahydronaphthalen-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.20499999999996 g/mol | RDKit | |
| 148.205 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0715 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Canonical SMILES | OC1CC=2C=CC=CC2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWQYZECMEPOAPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15.5 °C | CAS Common Chemistry |
| Name | 1,2,3,4-Tetrahydro-2-naphthalenol | 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 | 1.5362 | RDKit |
| Molar Refractivity | 44.473800000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 148.088815004 g/mol | RDKit |
| Boiling Point | 140 °C @ 12 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 148.21 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O.
