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Molecule
2-Hydroxy-3-Methoxybenzenemethanol
CAS: 4383-05-5 · C8H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4383-05-5
- Molecular Formula
- C8H10O3
- Molecular Mass
- 154.17 g/mol
Identifiers
CAS Registry Number
4383-05-5
SMILES
COc1cccc(CO)c1O
InChI Key
OSZHSESNQIMXMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3
Names and Synonyms
- 2-Hydroxy-3-Methoxybenzenemethanol Synonym
- Benzenemethanol, 2-hydroxy-3-methoxy- Synonym
- Benzyl alcohol, 2-hydroxy-3-methoxy- Synonym
- 2-Hydroxy-3-methoxybenzenemethanol Synonym
- o-Vanillyl alcohol Synonym
- 2-Hydroxy-3-methoxybenzyl alcohol Synonym
- 3-Methoxysalicyl alcohol Synonym
- o-(Hydroxymethyl)guaiacol Synonym
- 2-Hydroxymethyl-6-methoxyphenol Synonym
- Ortho-vanillyl alcohol Synonym
- 2-Hydroxy-3-methoxy-hydroxymethyl benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.17 g/mol | CAS Common Chemistry |
| 154.165 g/mol | RDKit | |
| Boiling Point | 135 °C | CAS Common Chemistry |
| Canonical SMILES | OC=1C(OC)=CC=CC1CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OSZHSESNQIMXMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61.5 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-3-methoxybenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 0.8930999999999998 | RDKit |
| 0.8931 | RDKit | |
| Molar Refractivity | 40.581600000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 154.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 154.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O3.
