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Molecule
Benzyl 2-Naphthyl Ether
CAS: 613-62-7 · C17H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 613-62-7
- Molecular Formula
- C17H14O
- Molecular Mass
- 234.30 g/mol
Identifiers
CAS Registry Number
613-62-7
SMILES
c1ccc(COc2ccc3ccccc3c2)cc1
InChI Key
WLTCCDHHWYAMCG-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
Names and Synonyms
- Benzyl 2-Naphthyl Ether Common Name
- Naphthalene, 2-(phenylmethoxy)- Synonym
- Naphthalene, 2-(benzyloxy)- Synonym
- 2-(Phenylmethoxy)naphthalene Synonym
- 2-(Benzyloxy)naphthalene Synonym
- Benzyl 2-naphthyl ether Synonym
- Benzyl β-naphthyl ether Synonym
- β-Naphthyl benzyl ether Synonym
- β-Naphthol benzyl ether Synonym
- β-(Benzyloxy)naphthalene Synonym
- BON (ether) Synonym
- BON Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.30 g/mol | CAS Common Chemistry |
| 234.298 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=2C=CC=CC2C1)CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WLTCCDHHWYAMCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-112 °C | CAS Common Chemistry |
| Name | Benzyl 2-naphthyl ether | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.418800000000003 | RDKit |
| 4.4188 | RDKit | |
| Molar Refractivity | 74.72200000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0588 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 234.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 234.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H14O.
