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Molecule
1-(2-Naphthyl)Ethanol
CAS: 7228-47-9 · C12H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7228-47-9
- Molecular Formula
- C12H12O
- Molecular Mass
- 172.23 g/mol
Identifiers
CAS Registry Number
7228-47-9
SMILES
CC(O)c1ccc2ccccc2c1
InChI Key
AXRKCRWZRKETCK-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3
Names and Synonyms
- 1-(2-Naphthyl)Ethanol Synonym
- 2-Naphthalenemethanol, α-methyl- Synonym
- α-Methyl-2-naphthalenemethanol Synonym
- 2-(1-Hydroxyethyl)naphthalene Synonym
- 1-β-Naphthylethanol Synonym
- 1-(2-Naphthyl)-1-ethanol Synonym
- Methyl 2-naphthyl carbinol Synonym
- 1-(2-Naphthyl)ethanol Synonym
- (±)-α-Methyl-2-naphthalenemethanol Synonym
- (±)-1-(2-Naphthyl)ethanol Synonym
- 1-(2-Naphthalenyl)ethanol Synonym
- NSC 92277 Synonym
- 1-(Naphthalen-2-yl)ethanol Synonym
- 1-(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 | OC(C=1C=CC=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AXRKCRWZRKETCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72 °C | CAS Common Chemistry |
| Name | 1-(2-Naphthyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.8931000000000013 | RDKit |
| 2.8931 | RDKit | |
| Molar Refractivity | 54.58180000000003 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 |
| Boiling Point | 145 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
