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Molecule
2-Methoxy-1,4-benzenediol
CAS: 824-46-4 · C7H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 824-46-4
- Molecular Formula
- C7H8O3
- Molecular Mass
- 140.14 g/mol
Identifiers
CAS Registry Number
824-46-4
SMILES
COc1cc(O)ccc1O
InChI Key
LAQYHRQFABOIFD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3
Names and Synonyms
- 2-Methoxy-1,4-benzenediol Synonym
- 2-Methoxyhydroquinone Synonym
- 1,4-Benzenediol, 2-methoxy- Synonym
- Hydroquinone, methoxy- Synonym
- Methoxy-p-benzohydroquinone Synonym
- Methoxyhydroquinone Synonym
- Methoxyquinol Synonym
- o-Methoxyhydroquinone Synonym
- 2-Methoxyhydroquinone Synonym
- 2,5-Dihydroxyanisole Synonym
- 1,4-Dihydroxy-3-methoxybenzene Synonym
- 1,4-Dihydroxy-2-methoxybenzene Synonym
- Monomethoxyhydroquinone Synonym
- 3-Methoxy-1,4-benzenediol Synonym
- 4-Hydroxy-2-methoxyphenol Synonym
- 2-Methoxy-1,4-dihydroxybenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.14 g/mol | CAS Common Chemistry |
| 140.13799999999998 g/mol | RDKit | |
| 140.138 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(O)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LAQYHRQFABOIFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-91 °C | CAS Common Chemistry |
| Name | 2-Methoxyhydroquinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 1.1063999999999996 | RDKit |
| 1.1064 | RDKit | |
| Molar Refractivity | 36.323600000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 140.047344116 g/mol | RDKit |
| Boiling Point | 180 °C @ 24 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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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 = 140.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8O3.
