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Molecule
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
Identifiers
CAS Registry Number
93-20-9
SMILES
OCCOc1ccc2ccccc2c1
InChI Key
BQPBZDSDFCDSAO-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(2-Naphthoxy)Ethanol Synonym
- Ethanol, 2-(2-naphthalenyloxy)- Synonym
- Ethanol, 2-(2-naphthyloxy)- Synonym
- 2-(2-Naphthalenyloxy)ethanol Synonym
- Anavenol Synonym
- Ethylene glycol mono-2-naphthyl ether Synonym
- 2-(β-Hydroxyethoxy)naphthalene Synonym
- β-Hydroxyethyl 2-naphthyl ether Synonym
- β-Naphthoxyethanol Synonym
- 2-(2-Naphthyloxy)ethanol Synonym
- 2-(2-Hydroxyethoxy)naphthalene Synonym
- 2-(2-Naphthoxy)ethanol Synonym
- 2-(Naphthalen-2-yloxy)ethanol Synonym
- NSC 37574 Synonym
- 2-(2-Naphthyloxy)ethyl alcohol Synonym
- 2-(Naphthalen-2-yloxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.23 g/mol | CAS Common Chemistry |
| 188.226 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 |
| 2.2109 | RDKit | |
| 2.07 | chempirical lib | |
| Molar Refractivity | 56.52880000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 188.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 188.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12O2.
