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Molecule
Methoxyeugenol
CAS: 6627-88-9 · C11H14O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6627-88-9
- Molecular Formula
- C11H14O3
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
6627-88-9
SMILES
C=CCc1cc(OC)c(O)c(OC)c1
InChI Key
FWMPKHMKIJDEMJ-UHFFFAOYSA-N
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
Names and Synonyms
- Methoxyeugenol Synonym
- Phenol, 2,6-dimethoxy-4-(2-propen-1-yl)- Synonym
- Phenol, 4-allyl-2,6-dimethoxy- Synonym
- Phenol, 2,6-dimethoxy-4-(2-propenyl)- Synonym
- Chavicol, 2,6-dimethoxy- Synonym
- 2,6-Dimethoxy-4-(2-propen-1-yl)phenol Synonym
- 4-Hydroxy-3,5-dimethoxyallylbenzene Synonym
- 4-Allyl-2,6-dimethoxyphenol Synonym
- 2,6-Dimethoxy-4-allylphenol Synonym
- Methoxyeugenol Synonym
- 4-Allylsyringol Synonym
- 2,6-Dimethoxychavicol Synonym
- 2,6-Dimethoxy-4-(2-propenyl)phenol Synonym
- 6-Methoxyeugenol Synonym
- 4-(2-Propenyl)syringol Synonym
- NSC 16953 Synonym
- NSC 60246 Synonym
- 4-(2-Propenyl)-2,6-dimethoxyphenol Synonym
- 4-Allenylsyringol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.22999999999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methoxyeugenol | 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 |
| 1.99 | chempirical lib | |
| Molar Refractivity | 55.11180000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 194.094294308 g/mol | RDKit |
| Boiling Point | 168-169 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 194.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14O3.
