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Molecule
Allyl Benzyl Ether
CAS: 14593-43-2 · C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14593-43-2
- Molecular Formula
- C10H12O
- Molecular Mass
- 148.20 g/mol
Identifiers
CAS Registry Number
14593-43-2
SMILES
C=CCOCc1ccccc1
InChI Key
HUGHWHMUUQNACD-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
Names and Synonyms
- Allyl Benzyl Ether Common Name
- Benzene, [(2-propen-1-yloxy)methyl]- Synonym
- Ether, allyl benzyl Synonym
- Benzene, [(2-propenyloxy)methyl]- Synonym
- [(2-Propen-1-yloxy)methyl]benzene Synonym
- Allyl benzyl ether Synonym
- Benzyl allyl ether Synonym
- 3-(Benzyloxy)-1-propene Synonym
- 3-(Benzyloxy)propene Synonym
- ((Allyloxy)methyl)benzene Synonym
- [[(2-Propenyl)oxy]methyl]benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.20 g/mol | CAS Common Chemistry |
| 148.20499999999998 g/mol | RDKit | |
| 148.205 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9548 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 204-205 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC=C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HUGHWHMUUQNACD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyl benzyl ether | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.3892000000000007 | RDKit |
| 2.3892 | RDKit | |
| 2.18 | chempirical lib | |
| Molar Refractivity | 46.29500000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 148.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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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Quick conversion
MW = 148.20 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O.
