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Magnolol
CAS: 528-43-8 | C18H18O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
528-43-8
Molecular Formula:
C18H18O2
Molecular Mass:
266.34 g/mol
Names and Synonyms:
Magnolol
[1,1′-Biphenyl]-2,2′-diol, 5,5′-di-2-propen-1-yl-
2,2′-Bichavicol
2,2′-Biphenyldiol, 5,5′-diallyl-
[1,1′-Biphenyl]-2,2′-diol, 5,5′-di-2-propenyl-
5,5′-Di-2-propen-1-yl[1,1′-biphenyl]-2,2′-diol
Magnolol
5,5′-Diallyl-2,2′-biphenyldiol
NSC 293099
2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
Identifiers:
SMILES:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1
InChI:
InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
Key Properties
Boiling Point
178-180 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
103 °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 | 266.34 g/mol | CAS Common Chemistry |
| 266.3399999999999 g/mol | RDKit | |
| 266.130679816 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Magnolol | CAS Common Chemistry |
| Boiling Point | 178-180 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC(=CC1C2=CC(=CC=C2O)CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VVOAZFWZEDHOOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | Magnolol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.2218000000000035 | RDKit |
| Molar Refractivity | 83.00960000000003 | RDKit |
