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4-Methoxybiphenyl
CAS: 613-37-6 | C13H12O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
613-37-6
Molecular Formula:
C13H12O
Molecular Mass:
184.24 g/mol
Names and Synonyms:
4-Methoxybiphenyl
1,1′-Biphenyl, 4-methoxy-
Anisole, p-phenyl-
4-Methoxy-1,1′-biphenyl
4-Methoxybiphenyl
p-Methoxybiphenyl
p-Phenylanisole
4-Phenylanisole
4-(4-Methoxyphenyl)benzene
NSC 3793
p-Methoxyphenyl benzene
1-Phenyl-4-methoxybenzene
1-Methoxy-4-phenylbenzene
Identifiers:
SMILES:
COc1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
Key Properties
Boiling Point
157 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
90 °C
CAS Common Chemistry
Density
1.03 g/cm³
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 | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0278 g/cm3 @ Temp: 100 °C | CAS Common Chemistry | |
| Boiling Point | 157 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC(=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RHDYQUZYHZWTCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | 4-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 |
