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Molecule
2-Naphthyl Ether
CAS: 613-80-9 · C20H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 613-80-9
- Molecular Formula
- C20H14O
- Molecular Mass
- 270.33 g/mol
Identifiers
CAS Registry Number
613-80-9
SMILES
c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChI Key
DZRLNYVDCIYXPG-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
Names and Synonyms
- 2-Naphthyl Ether Systematic Name
- Naphthalene, 2,2′-oxybis- Synonym
- 2-Naphthyl ether Synonym
- 2,2′-Oxybis[naphthalene] Synonym
- Di-β-naphthyl ether Synonym
- 2,2′-Dinaphthyl ether Synonym
- Di(2-naphthyl) ether Synonym
- 2-Naphthalen-2-yloxynaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.33 g/mol | CAS Common Chemistry |
| 270.331 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=2C=CC=CC2C1)C=3C=CC=4C=CC=CC4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H14O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=DZRLNYVDCIYXPG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | 2-Naphthyl ether | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 5.785300000000004 | RDKit |
| 5.7853 | RDKit | |
| Molar Refractivity | 87.97000000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 270.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 270.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H14O.
