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Benzyl 2-Naphthyl Ether
CAS: 613-62-7 | C17H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
613-62-7
Molecular Formula:
C17H14O
Molecular Mass:
234.30 g/mol
Names and Synonyms:
Benzyl 2-Naphthyl Ether
Naphthalene, 2-(phenylmethoxy)-
Naphthalene, 2-(benzyloxy)-
2-(Phenylmethoxy)naphthalene
2-(Benzyloxy)naphthalene
Benzyl 2-naphthyl ether
Benzyl β-naphthyl ether
β-Naphthyl benzyl ether
β-Naphthol benzyl ether
β-(Benzyloxy)naphthalene
BON (ether)
BON
Identifiers:
SMILES:
c1ccc(COc2ccc3ccccc3c2)cc1
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
Key Properties
Melting Point
111-112 °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 | 234.30 g/mol | CAS Common Chemistry |
| 234.298 g/mol | RDKit | |
| 234.104465068 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 |
| Molar Refractivity | 74.72200000000004 | RDKit |
