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Molecule
3-Methoxyphenol
CAS: 150-19-6 · C7H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 150-19-6
- Molecular Formula
- C7H8O2
- Molecular Mass
- 124.14 g/mol
Identifiers
CAS Registry Number
150-19-6
SMILES
COc1cccc(O)c1
InChI Key
ASHGTJPOSUFTGB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
Names and Synonyms
- 3-Methoxyphenol Synonym
- Phenol, 3-methoxy- Synonym
- Phenol, m-methoxy- Synonym
- 3-Methoxyphenol Synonym
- m-Methoxyphenol Synonym
- Resorcinol methyl ether Synonym
- Resorcinol monomethyl ether Synonym
- 3-Hydroxyanisole Synonym
- 1-Hydroxy-3-methoxybenzene Synonym
- m-Hydroxyanisole Synonym
- m-Guaiacol Synonym
- m-Hydroxyanisole Synonym
- m-Hydroxyanisol Synonym
- NSC 21735 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.13899999999997 g/mol | RDKit | |
| 124.139 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.052 g/cm3 @ 13 °C | CAS Common Chemistry | |
| Boiling Point | 244 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ASHGTJPOSUFTGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-17 °C | CAS Common Chemistry |
| Name | 3-Methoxyphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.4007999999999998 | RDKit |
| 1.4008 | RDKit | |
| Molar Refractivity | 34.6588 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 124.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 124.14 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8O2.
