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Molecule
2-Naphthaleneethanol
CAS: 1485-07-0 · C12H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1485-07-0
- Molecular Formula
- C12H12O
- Molecular Mass
- 172.23 g/mol
Identifiers
CAS Registry Number
1485-07-0
SMILES
OCCc1ccc2ccccc2c1
InChI Key
VCZANYLMPFRUHG-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
Names and Synonyms
- 2-Naphthaleneethanol Systematic Name
- 2-Naphthaleneethanol Synonym
- 2-(2-Naphthyl)ethanol Synonym
- 2-β-Naphthylethanol Synonym
- 2-(2-Hydroxyethyl)naphthalene Synonym
- 2-(2-Naphthyl)ethyl alcohol Synonym
- 2-Naphthalen-2-ylethanol Synonym
- NSC 21040 Synonym
- 2-Naphthyl ethanol Synonym
- 2-(Naphthalen-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.23 g/mol | CAS Common Chemistry |
| 172.22699999999998 g/mol | RDKit | |
| 172.227 g/mol | RDKit | |
| Canonical SMILES | OCCC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VCZANYLMPFRUHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Naphthaleneethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.3746 | RDKit |
| 2.36 | chempirical lib | |
| Molar Refractivity | 54.737800000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 172.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 172.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12O.
