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3,4-Dimethoxyphenol
CAS: 2033-89-8 | C8H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2033-89-8
Molecular Formula:
C8H10O3
Molecular Weight:
154.16499999999996 g/mol
Names and Synonyms:
3,4-Dimethoxyphenol
Phenol, 3,4-dimethoxy-
3,4-Dimethoxyphenol
NSC 140927
3,4-Bis(methyloxy)phenol
Identifiers:
SMILES:
COc1ccc(O)cc1OC
InChI:
InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.16499999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.06299418 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 38.69 Ų | RDKit |
| Physical Properties | LogP | 1.4093999999999998 | RDKit |
| molecular_mass | 154.17 g/mol | Legacy Database | |
| cas-boiling-point | 168-170 °C | Legacy Database | |
| cas-canonical-smile | OC1=CC=C(OC)C(OC)=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=SMFFZOQLHYIRDA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 79-80 °C | Legacy Database | |
| cas-name | 3,4-Dimethoxyphenol | Legacy Database | |
| Molar | Molar Refractivity | 41.21080000000002 | RDKit |
