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Molecule
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
Identifiers
CAS Registry Number
86-26-0
SMILES
COc1ccccc1-c1ccccc1
InChI Key
NLWCWEGVNJVLAX-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
Names and Synonyms
- 2-Methoxybiphenyl Systematic Name
- o-Phenylanisol Synonym
- 1,1′-Biphenyl, 2-methoxy- Synonym
- Anisole, o-phenyl- Synonym
- 2-Methoxy-1,1′-biphenyl Synonym
- 2-Methoxybiphenyl Synonym
- o-Phenylanisole Synonym
- 2-Phenylanisole Synonym
- o-Methoxybiphenyl Synonym
- 2-Hydroxybiphenyl methyl ether Synonym
- NSC 2148 Synonym
- 1-Methoxy-2-phenylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.238 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 |
| 3.3622 | RDKit | |
| Molar Refractivity | 58.430000000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 184.088815004 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
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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 = 184.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12O.
