Back to Search
Molecule
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 Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
1746-13-0
SMILES
C=CCOc1ccccc1
InChI Key
POSICDHOUBKJKP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
Names and Synonyms
- Allyl Phenyl Ether Synonym
- Benzene, (2-propen-1-yloxy)- Synonym
- Ether, allyl phenyl Synonym
- Benzene, (2-propenyloxy)- Synonym
- (2-Propen-1-yloxy)benzene Synonym
- Allyl phenyl ether Synonym
- (2-Propenyloxy)benzene Synonym
- Phenyl allyl ether Synonym
- Allyloxybenzene Synonym
- 3-Phenoxypropene Synonym
- Phenyl 2-propenyl ether Synonym
- Phenylpropenyl ether Synonym
- 3-Phenoxy-1-propene Synonym
- 1-(2-Propenyloxy)benzene Synonym
- 1-Phenoxy-2-propene Synonym
- NSC 4746 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.17799999999997 g/mol | RDKit | |
| 134.178 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allyl_phenyl_ether | CAS Common Chemistry |
| Boiling Point | 191.7 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=POSICDHOUBKJKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Allyl phenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.2514000000000003 | RDKit |
| 2.2514 | RDKit | |
| Molar Refractivity | 42.13400000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 134.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 134.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
