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Honokiol
CAS: 35354-74-6 | C18H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35354-74-6
Molecular Formula:
C18H18O2
Molecular Mass:
266.34 g/mol
Names and Synonyms:
Honokiol
[1,1′-Biphenyl]-2,4′-diol, 3′,5-di-2-propen-1-yl-
[1,1′-Biphenyl]-2,4′-diol, 3′,5-di-2-propenyl-
3′,5-Di-2-propen-1-yl[1,1′-biphenyl]-2,4′-diol
Honokiol
3′,5-Diallyl-2,4′-biphenyldiol
NSC 293100
2-[4-Hydroxy-3-(2-propenyl)phenyl]-4-(2-propenyl)phenol
2-Allyl-4-(5-allyl-2-hydroxyphenyl)phenol
Identifiers:
SMILES:
C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1
InChI:
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
Key Properties
Melting Point
87.5 °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/Honokiol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1C=2C=CC(O)=C(C2)CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FVYXIJYOAGAUQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87.5 °C | CAS Common Chemistry |
| Name | Honokiol | 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 | 4.221800000000003 | RDKit |
| Molar Refractivity | 83.00960000000003 | RDKit |
