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Molecule
Chavicol
CAS: 501-92-8 · C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 501-92-8
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
501-92-8
SMILES
C=CCc1ccc(O)cc1
InChI Key
RGIBXDHONMXTLI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
Names and Synonyms
- Chavicol Synonym
- Phenol, 4-(2-propen-1-yl)- Synonym
- Phenol, p-allyl- Synonym
- Chavicol Synonym
- Phenol, 4-(2-propenyl)- Synonym
- 4-(2-Propen-1-yl)phenol Synonym
- p-Allylphenol Synonym
- γ-(p-Hydroxyphenyl)-α-propylene Synonym
- p-Hydroxyallylbenzene Synonym
- 4-Allylphenol Synonym
- 3-(p-Hydroxyphenyl)-1-propene Synonym
- NSC 290195 Synonym
- 4-(2-Propenyl)phenol Synonym
- (4-Hydroxyphenyl)-2-propene Synonym
- 1-Allyl-4-hydroxybenzene 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/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 |
| 2.1207 | RDKit | |
| Molar Refractivity | 42.007800000000024 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.
