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Molecule
2-Methoxy-5-Methylphenol
CAS: 1195-09-1 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1195-09-1
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
1195-09-1
SMILES
COc1ccc(C)cc1O
InChI Key
IFNDEOYXGHGERA-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
Names and Synonyms
- 2-Methoxy-5-Methylphenol Systematic Name
- Phenol, 2-methoxy-5-methyl- Synonym
- m-Cresol, 6-methoxy- Synonym
- Isocreosol Synonym
- 2-Methoxy-5-methylphenol Synonym
- 6-Methoxy-m-cresol Synonym
- o-Hydroxy-p-methylanisole Synonym
- 3-Hydroxy-4-methoxytoluene Synonym
- 5-Methylguaiacol Synonym
- 3-Hydroxy-4-methoxy-1-methylbenzene Synonym
- 2-Hydroxy-4-methylanisole Synonym
- 5-Methyl-2-methoxyphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.166 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0742 g/cm3 @ 38.60001953125 °C | CAS Common Chemistry | |
| Boiling Point | 217-218 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC(=CC=C1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IFNDEOYXGHGERA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35.5 °C | CAS Common Chemistry |
| Name | 2-Methoxy-5-methylphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.70922 | RDKit |
| 1.7092 | RDKit | |
| Molar Refractivity | 39.39580000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 138.17 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
