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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
Names and Synonyms:
2,6-Dimethoxyhydroquinone
1,4-Benzenediol, 2,6-dimethoxy-
Hydroquinone, 2,6-dimethoxy-
2,6-Dimethoxy-1,4-benzenediol
2,6-Dimethoxyhydroquinone
2,6-Dimethoxyquinol
3,5-Dimethoxyhydroquinone
2,6-Dimethoxy-1,4-dihydroxybenzene
2,6-Dimethoxy-4-hydroxyphenol
NSC 49356
1,4-Dihydroxy-2,6-dimethoxybenzene
Identifiers:
SMILES:
COc1cc(O)cc(OC)c1O
InChI:
InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
Key Properties
Melting Point
162 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.16 g/mol | CAS Common Chemistry |
| 170.164 g/mol | RDKit | |
| 170.0579088 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 |
| Molar Refractivity | 42.87560000000002 | RDKit |
