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2-(2-Naphthoxy)Ethanol
CAS: 93-20-9 | C12H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93-20-9
Molecular Formula:
C12H12O2
Molecular Mass:
188.23 g/mol
Names and Synonyms:
2-(2-Naphthoxy)Ethanol
Ethanol, 2-(2-naphthalenyloxy)-
Ethanol, 2-(2-naphthyloxy)-
2-(2-Naphthalenyloxy)ethanol
Anavenol
Ethylene glycol mono-2-naphthyl ether
2-(β-Hydroxyethoxy)naphthalene
β-Hydroxyethyl 2-naphthyl ether
β-Naphthoxyethanol
2-(2-Naphthyloxy)ethanol
2-(2-Hydroxyethoxy)naphthalene
2-(2-Naphthoxy)ethanol
2-(Naphthalen-2-yloxy)ethanol
NSC 37574
2-(2-Naphthyloxy)ethyl alcohol
2-(Naphthalen-2-yloxy)ethan-1-ol
Identifiers:
SMILES:
OCCOc1ccc2ccccc2c1
InChI:
InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
Key Properties
Melting Point
76.7 °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 |
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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 | 188.23 g/mol | CAS Common Chemistry |
| 188.226 g/mol | RDKit | |
| 188.083729624 g/mol | RDKit | |
| Canonical SMILES | OCCOC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BQPBZDSDFCDSAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76.7 °C | CAS Common Chemistry |
| Name | 2-(2-Naphthoxy)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.2108999999999996 | RDKit |
| Molar Refractivity | 56.52880000000003 | RDKit |
