Back to Search
Propenylguaethol
CAS: 94-86-0 | C11H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-86-0
Molecular Formula:
C11H14O2
Molecular Mass:
178.23 g/mol
Names and Synonyms:
Propenylguaethol
Phenol, 2-ethoxy-5-(1-propen-1-yl)-
Phenol, 2-ethoxy-5-propenyl-
Phenol, 2-ethoxy-5-(1-propenyl)-
m-Anol, 6-ethoxy-
2-Ethoxy-5-(1-propen-1-yl)phenol
6-Ethoxy-m-anol
1-Ethoxy-2-hydroxy-4-propenylbenzene
2-Ethoxy-5-propenylphenol
Hydroxy methyl anethol
Propenylguaethol
Isosafroeugenol
Vanitrope
NSC 5194
5-Propenylguaethol
Propenylguaetol
2-Ethoxy-5-prop-1-enylphenol
Identifiers:
SMILES:
CC=Cc1ccc(OCC)c(O)c1
InChI:
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3
Key Properties
Melting Point
86 °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 | 178.23 g/mol | CAS Common Chemistry |
| 178.231 g/mol | RDKit | |
| 178.099379688 g/mol | RDKit | |
| Canonical SMILES | OC1=CC(=CC=C1OCC)C=CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RADIRXJQODWKGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | Propenylguaethol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.8240000000000007 | RDKit |
| Molar Refractivity | 53.98380000000003 | RDKit |
