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Allyl Phenyl Ether
CAS: 1746-13-0 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1746-13-0
Molecular Formula:
C9H10O
Molecular Weight:
134.17799999999997 g/mol
Names and Synonyms:
Allyl Phenyl Ether
Benzene, (2-propen-1-yloxy)-
Ether, allyl phenyl
Benzene, (2-propenyloxy)-
(2-Propen-1-yloxy)benzene
Allyl phenyl ether
(2-Propenyloxy)benzene
Phenyl allyl ether
Allyloxybenzene
3-Phenoxypropene
Phenyl 2-propenyl ether
Phenylpropenyl ether
3-Phenoxy-1-propene
1-(2-Propenyloxy)benzene
1-Phenoxy-2-propene
NSC 4746
Identifiers:
SMILES:
C=CCOc1ccccc1
InChI:
InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 134.18 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Allyl_phenyl_ether None | Legacy Database |
| cas-boiling-point | 191.7 °C None | Legacy Database |
| cas-canonical-smile | O(C=1C=CC=CC1)CC=C None | Legacy Database |
| cas-inchi | InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=POSICDHOUBKJKP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 90 °C @ Solvent: Water None | Legacy Database |
| cas-name | Allyl phenyl ether None | Legacy Database |
| wikipedia-name | Allyl phenyl ether None | Legacy Database |
| LogP | 2.2514000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.17799999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.13400000000003 | RDKit |
