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Chavicol
CAS: 501-92-8 | C9H10O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
501-92-8
Molecular Formula:
C9H10O
Molecular Mass:
134.18 g/mol
Names and Synonyms:
Chavicol
Phenol, 4-(2-propen-1-yl)-
Phenol, p-allyl-
Chavicol
Phenol, 4-(2-propenyl)-
4-(2-Propen-1-yl)phenol
p-Allylphenol
γ-(p-Hydroxyphenyl)-α-propylene
p-Hydroxyallylbenzene
4-Allylphenol
3-(p-Hydroxyphenyl)-1-propene
NSC 290195
4-(2-Propenyl)phenol
(4-Hydroxyphenyl)-2-propene
1-Allyl-4-hydroxybenzene
Identifiers:
SMILES:
C=CCc1ccc(O)cc1
InChI:
InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
Key Properties
Boiling Point
238 °C
CAS Common Chemistry
Melting Point
15.8 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.17799999999997 g/mol | RDKit | |
| 134.07316494 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chavicol | CAS Common Chemistry |
| Boiling Point | 238 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RGIBXDHONMXTLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15.8 °C | CAS Common Chemistry |
| Name | Chavicol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.1207000000000003 | RDKit |
| Molar Refractivity | 42.007800000000024 | RDKit |
