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2-Methoxybiphenyl
CAS: 86-26-0 | C13H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-26-0
Molecular Formula:
C13H12O
Molecular Mass:
184.24 g/mol
Names and Synonyms:
2-Methoxybiphenyl
1,1′-Biphenyl, 2-methoxy-
Anisole, o-phenyl-
2-Methoxy-1,1′-biphenyl
2-Methoxybiphenyl
o-Phenylanisole
2-Phenylanisole
o-Methoxybiphenyl
2-Hydroxybiphenyl methyl ether
NSC 2148
1-Methoxy-2-phenylbenzene
o-Phenylanisol
Identifiers:
SMILES:
COc1ccccc1-c1ccccc1
InChI:
InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
Key Properties
Boiling Point
274 °C
CAS Common Chemistry
Melting Point
29 °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 | 184.24 g/mol | CAS Common Chemistry |
| 184.238 g/mol | RDKit | |
| 184.088815004 g/mol | RDKit | |
| Boiling Point | 274 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NLWCWEGVNJVLAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | 2-Methoxybiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.3622000000000014 | RDKit |
| Molar Refractivity | 58.430000000000035 | RDKit |
