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Molecule
2,6-Dimethoxyhydroquinone
CAS: 15233-65-5 · C8H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15233-65-5
- Molecular Formula
- C8H10O4
- Molecular Mass
- 170.16 g/mol
Identifiers
CAS Registry Number
15233-65-5
SMILES
COc1cc(O)cc(OC)c1O
InChI Key
GXAVBFNRWXCOPY-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
Names and Synonyms
- 2,6-Dimethoxyhydroquinone Synonym
- 1,4-Benzenediol, 2,6-dimethoxy- Synonym
- Hydroquinone, 2,6-dimethoxy- Synonym
- 2,6-Dimethoxy-1,4-benzenediol Synonym
- 2,6-Dimethoxyhydroquinone Synonym
- 2,6-Dimethoxyquinol Synonym
- 3,5-Dimethoxyhydroquinone Synonym
- 2,6-Dimethoxy-1,4-dihydroxybenzene Synonym
- 2,6-Dimethoxy-4-hydroxyphenol Synonym
- NSC 49356 Synonym
- 1,4-Dihydroxy-2,6-dimethoxybenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.16 g/mol | CAS Common Chemistry |
| 170.164 g/mol | RDKit | |
| Canonical SMILES | OC=1C=C(OC)C(O)=C(OC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GXAVBFNRWXCOPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162 °C | CAS Common Chemistry |
| Name | 2,6-Dimethoxyhydroquinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.92 Ų | RDKit |
| LogP | 1.1149999999999998 | RDKit |
| 1.115 | RDKit | |
| Molar Refractivity | 42.87560000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 170.0579088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 170.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O4.
