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Methoxyeugenol
CAS: 6627-88-9 | C11H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6627-88-9
Molecular Formula:
C11H14O3
Molecular Mass:
194.23 g/mol
Names and Synonyms:
Methoxyeugenol
Phenol, 2,6-dimethoxy-4-(2-propen-1-yl)-
Phenol, 4-allyl-2,6-dimethoxy-
Phenol, 2,6-dimethoxy-4-(2-propenyl)-
Chavicol, 2,6-dimethoxy-
2,6-Dimethoxy-4-(2-propen-1-yl)phenol
4-Hydroxy-3,5-dimethoxyallylbenzene
4-Allyl-2,6-dimethoxyphenol
2,6-Dimethoxy-4-allylphenol
Methoxyeugenol
4-Allylsyringol
2,6-Dimethoxychavicol
2,6-Dimethoxy-4-(2-propenyl)phenol
6-Methoxyeugenol
4-(2-Propenyl)syringol
NSC 16953
NSC 60246
4-(2-Propenyl)-2,6-dimethoxyphenol
4-Allenylsyringol
Identifiers:
SMILES:
C=CCc1cc(OC)c(O)c(OC)c1
InChI:
InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3
Key Properties
Boiling Point
168-169 °C @ Press: 11 Torr
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 | 194.23 g/mol | CAS Common Chemistry |
| 194.22999999999996 g/mol | RDKit | |
| 194.094294308 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methoxyeugenol | CAS Common Chemistry |
| Boiling Point | 168-169 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=C(OC)C=C(C=C1OC)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FWMPKHMKIJDEMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Allyl-2,6-dimethoxyphenol | CAS Common Chemistry |
| Methoxyeugenol | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 2.1379 | RDKit |
| Molar Refractivity | 55.11180000000004 | RDKit |
