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Molecule
2-Methylanisole
CAS: 578-58-5 · C8H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 578-58-5
- Molecular Formula
- C8H10O
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
578-58-5
SMILES
COc1ccccc1C
InChI Key
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
Names and Synonyms
- 2-Methylanisole Systematic Name
- Benzene, 1-methoxy-2-methyl- Synonym
- Anisole, o-methyl- Synonym
- 1-Methoxy-2-methylbenzene Synonym
- o-Cresyl methyl ether Synonym
- o-Methylanisole Synonym
- Methyl o-cresyl ether Synonym
- Methyl o-tolyl ether Synonym
- 2-Methylanisole Synonym
- o-Methoxytoluene Synonym
- 2-Methoxytoluene Synonym
- o-Cresol methyl ether Synonym
- Methyl o-methylphenyl ether Synonym
- 2-Methyl-1-methoxybenzene Synonym
- 2-Cresol methyl ether Synonym
- NSC 6253 Synonym
- NK 409 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999997 g/mol | RDKit | |
| 122.167 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9798 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 171 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DTFKRVXLBCAIOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -34.1 °C | CAS Common Chemistry |
| Name | 2-Methylanisole | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.0036199999999997 | RDKit |
| 2.0036 | RDKit | |
| Molar Refractivity | 37.73100000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 122.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 122.17 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O.
