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1-(6-Methoxy-2-Naphthyl)Ethanol
CAS: 77301-42-9 | C13H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77301-42-9
Molecular Formula:
C13H14O2
Molecular Mass:
202.25 g/mol
Names and Synonyms:
1-(6-Methoxy-2-Naphthyl)Ethanol
2-Naphthalenemethanol, 6-methoxy-α-methyl-
6-Methoxy-α-methyl-2-naphthalenemethanol
α-(6-Methoxy-2-naphthyl)ethyl alcohol
α-(6-Methoxy-2-naphthyl)ethanol
1-(6-Methoxy-2-naphthyl)ethanol
(±)-1-(6-Methoxynaphthyl)ethanol
1-(6′-Methoxy-2-naphthyl)ethanol
2-(1-Hydroxyethyl)-6-methoxynaphthalene
1-(6-Methoxynaphthalen-2-yl)ethanol
1-(6-Methoxynaphthalen-2-yl)ethan-1-ol
Identifiers:
SMILES:
COc1ccc2cc(C(C)O)ccc2c1
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
Key Properties
Melting Point
113.5-114.5 °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 | 202.25 g/mol | CAS Common Chemistry |
| 202.253 g/mol | RDKit | |
| 202.099379688 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 |
| Molar Refractivity | 61.133800000000036 | RDKit |
