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Molecule
2-Naphthalenemethanol
CAS: 1592-38-7 · C11H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1592-38-7
- Molecular Formula
- C11H10O
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
1592-38-7
SMILES
OCc1ccc2ccccc2c1
InChI Key
MFGWMAAZYZSWMY-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
Names and Synonyms
- 2-Naphthalenemethanol Synonym
- 2-Naphthalenemethanol Synonym
- 2-Naphthylmethanol Synonym
- β-Naphthylcarbinol Synonym
- 2-(Hydroxymethyl)naphthalene Synonym
- 2-Naphthylcarbinol Synonym
- 2-Naphthylmethyl alcohol Synonym
- Naphthalen-2-ylmethanol Synonym
- β-(Hydroxymethyl)naphthalene Synonym
- NSC 408615 Synonym
- 2-Naphthylmethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.2 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 |
| 2.3321 | RDKit | |
| Molar Refractivity | 49.87080000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 158.07316494 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 = 158.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H10O.
