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Β-Naphthol Methyl Ether
CAS: 93-04-9 | C11H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93-04-9
Molecular Formula:
C11H10O
Molecular Mass:
158.20 g/mol
Names and Synonyms:
Β-Naphthol Methyl Ether
Naphthalene, 2-methoxy-
Ether, methyl 2-naphthyl
2-Methoxynaphthalene
Methyl β-naphthyl ether
β-Naphthol methyl ether
Nerolin
Yara yara
2-Naphthol methyl ether
Nerolin (old)
β-Naphthyl methyl ether
Methyl 2-naphthyl ether
β-Methoxynaphthalene
2-Naphthyl methyl ether
NSC 4171
6-Methoxy-2-naphthalene
Nerolin yara yara
Identifiers:
SMILES:
COc1ccc2ccccc2c1
InChI:
InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
Key Properties
Boiling Point
274 °C
CAS Common Chemistry
Melting Point
73.5 °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 | 158.20 g/mol | CAS Common Chemistry |
| 158.2 g/mol | RDKit | |
| 158.07316494 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/%CE%92-Naphthol_methyl_ether | CAS Common Chemistry |
| Boiling Point | 274 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LUZDYPLAQQGJEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.5 °C | CAS Common Chemistry |
| Name | 2-Methoxynaphthalene | CAS Common Chemistry |
| β-Naphthol methyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.8484000000000007 | RDKit |
| Molar Refractivity | 50.50000000000002 | RDKit |
