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Molecule
4-Isopropenylphenol
CAS: 4286-23-1 · C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4286-23-1
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
4286-23-1
SMILES
C=C(C)c1ccc(O)cc1
InChI Key
JAGRUUPXPPLSRX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
Names and Synonyms
- 4-Isopropenylphenol Synonym
- Phenol, 4-(1-methylethenyl)- Synonym
- Phenol, p-isopropenyl- Synonym
- 4-(1-Methylethenyl)phenol Synonym
- p-Isopropenylphenol Synonym
- 4-Isopropenylphenol Synonym
- p-Hydroxy-α-methylstyrene Synonym
- 4-Hydroxy-α-methylstyrene Synonym
- 2-(4-Hydroxyphenyl)propene Synonym
- 4-(1-Propen-2-yl)phenol Synonym
- α-Methyl-p-hydroxystyrene Synonym
- 4-(Methylethenyl)phenol 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/4-Isopropenylphenol | CAS Common Chemistry |
| Boiling Point | 125-160 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JAGRUUPXPPLSRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-84 °C @ Solvent: Cyclohexane | CAS Common Chemistry |
| Name | p-Isopropenylphenol | CAS Common Chemistry |
| 4-Isopropenylphenol | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | 2.4253 | RDKit |
| Molar Refractivity | 42.81480000000003 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
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MW = 134.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
