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Molecule
Honokiol
CAS: 35354-74-6 · C18H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35354-74-6
- Molecular Formula
- C18H18O2
- Molecular Mass
- 266.34 g/mol
Identifiers
CAS Registry Number
35354-74-6
SMILES
C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1
InChI Key
FVYXIJYOAGAUQK-UHFFFAOYSA-N
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
Names and Synonyms
- Honokiol Synonym
- [1,1′-Biphenyl]-2,4′-diol, 3′,5-di-2-propen-1-yl- Synonym
- [1,1′-Biphenyl]-2,4′-diol, 3′,5-di-2-propenyl- Synonym
- 3′,5-Di-2-propen-1-yl[1,1′-biphenyl]-2,4′-diol Synonym
- Honokiol Synonym
- 3′,5-Diallyl-2,4′-biphenyldiol Synonym
- NSC 293100 Synonym
- 2-[4-Hydroxy-3-(2-propenyl)phenyl]-4-(2-propenyl)phenol Synonym
- 2-Allyl-4-(5-allyl-2-hydroxyphenyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.34 g/mol | CAS Common Chemistry |
| 266.3399999999999 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 |
| 4.2218 | RDKit | |
| Molar Refractivity | 83.00960000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 266.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 266.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H18O2.
