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4-Vinylphenol
CAS: 2628-17-3 | C8H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2628-17-3
- Molecular Formula
- C8H8O
- Molecular Mass
- 120.15 g/mol
Identifiers
CAS Registry Number
2628-17-3
SMILES
C=Cc1ccc(O)cc1
InChI Key
FUGYGGDSWSUORM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
Names and Synonyms
- 4-Vinylphenol Synonym
- Phenol, 4-ethenyl- Synonym
- Phenol, p-vinyl- Synonym
- 4-Ethenylphenol Synonym
- 4-Hydroxystyrene Synonym
- p-Hydroxystyrene Synonym
- p-Vinylphenol Synonym
- 4-Vinylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.15 g/mol | CAS Common Chemistry |
| 120.15099999999997 g/mol | RDKit | |
| 120.151 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Vinylphenol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FUGYGGDSWSUORM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.5 °C | CAS Common Chemistry |
| Name | 4-Vinylphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.0351999999999997 | RDKit |
| 2.0352 | RDKit | |
| Molar Refractivity | 38.197800000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 120.057514876 g/mol | RDKit |
| Boiling Point | 145-152 °C @ 20 Torr | CAS Common Chemistry |
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
Related
Related molecules
Other compounds with formula C8H8O.
