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2-Naphthalenemethanol
CAS: 1592-38-7 | C11H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1592-38-7
Molecular Formula:
C11H10O
Molecular Mass:
158.20 g/mol
Names and Synonyms:
2-Naphthalenemethanol
2-Naphthalenemethanol
2-Naphthylmethanol
β-Naphthylcarbinol
2-(Hydroxymethyl)naphthalene
2-Naphthylcarbinol
2-Naphthylmethyl alcohol
Naphthalen-2-ylmethanol
β-(Hydroxymethyl)naphthalene
NSC 408615
2-Naphthylmethan-1-ol
Identifiers:
SMILES:
OCc1ccc2ccccc2c1
InChI:
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
Key Properties
Boiling Point
178 °C
CAS Common Chemistry
Melting Point
81.3 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.2 g/mol | RDKit | |
| 158.07316494 g/mol | RDKit | |
| Boiling Point | 178 °C | CAS Common Chemistry |
| Canonical SMILES | OCC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MFGWMAAZYZSWMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81.3 °C | CAS Common Chemistry |
| Name | 2-Naphthalenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.3320999999999996 | RDKit |
| Molar Refractivity | 49.87080000000003 | RDKit |
