4-[2-(5-Hexyl-2-furanyl)ethyl]-2-methoxyphenol
PubChem CID: 15929154
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan, 143114-91-4, 4-[2-(5-Hexyl-2-furanyl)ethyl]-2-methoxyphenol, 4-(2-(5-Hexyl-2-furanyl)ethyl)-2-methoxyphenol, CHEBI:196276, DTXSID701248430, 4-[2-(5-hexyluran-2-yl)ethyl]-2-methoxyphenol, 4-[2-(5-Hexyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from dry rhizomes of ginger Zingiber officinale. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(5-hexylfuran-2-yl)ethyl]-2-methoxyphenol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C19H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZHSIDQBPQYZNL-UHFFFAOYSA-N |
| Fcsp3 | 0.4736842105263157 |
| Rotatable Bond Count | 9.0 |
| Synonyms | 4-[2-(5-Hexyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI |
| Substituent Name | Furanoid fatty acid, Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Heteroaromatic compound, Furan, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteromonocyclic compound |
| Compound Name | 4-[2-(5-Hexyl-2-furanyl)ethyl]-2-methoxyphenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0630668 |
| Inchi | InChI=1S/C19H26O3/c1-3-4-5-6-7-16-11-12-17(22-16)10-8-15-9-13-18(20)19(14-15)21-2/h9,11-14,20H,3-8,10H2,1-2H3 |
| Smiles | CCCCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients