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Molecule
1-(6-Methoxy-2-Naphthyl)Ethanol
CAS: 77301-42-9 · C13H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 77301-42-9
- Molecular Formula
- C13H14O2
- Molecular Mass
- 202.25 g/mol
Identifiers
CAS Registry Number
77301-42-9
SMILES
COc1ccc2cc(C(C)O)ccc2c1
InChI Key
OUVJWFRUESFCCY-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3
Names and Synonyms
- 1-(6-Methoxy-2-Naphthyl)Ethanol Synonym
- 2-Naphthalenemethanol, 6-methoxy-α-methyl- Synonym
- 6-Methoxy-α-methyl-2-naphthalenemethanol Synonym
- α-(6-Methoxy-2-naphthyl)ethyl alcohol Synonym
- α-(6-Methoxy-2-naphthyl)ethanol Synonym
- 1-(6-Methoxy-2-naphthyl)ethanol Synonym
- (±)-1-(6-Methoxynaphthyl)ethanol Synonym
- 1-(6′-Methoxy-2-naphthyl)ethanol Synonym
- 2-(1-Hydroxyethyl)-6-methoxynaphthalene Synonym
- 1-(6-Methoxynaphthalen-2-yl)ethanol Synonym
- 1-(6-Methoxynaphthalen-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.25 g/mol | CAS Common Chemistry |
| 202.253 g/mol | RDKit | |
| Canonical SMILES | OC(C1=CC=C2C=C(OC)C=CC2=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OUVJWFRUESFCCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113.5-114.5 °C | CAS Common Chemistry |
| Name | 1-(6-Methoxy-2-naphthyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.9017000000000017 | RDKit |
| 2.9017 | RDKit | |
| Molar Refractivity | 61.133800000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 202.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 202.25 g/mol. Edit any field — others recompute live.
