2-Methoxy-4-(2-(5-octyl-2-furanyl)ethyl)phenol
PubChem CID: 15929155
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| Compound Synonyms | 143114-92-5, 2-Methoxy-4-[2-(5-octyl-2-furanyl)ethyl]phenol, 2-Methoxy-4-(2-(5-octyl-2-furanyl)ethyl)phenol, 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran, DTXSID801248895, 4-[2-(5-Octyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | Isolated from dry rhizomes of ginger Zingiber officinale. 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[2-(5-octylfuran-2-yl)ethyl]phenol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 6.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C21H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LUISKKSBOJYGAL-UHFFFAOYSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -6.308 |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Logd | 4.752 |
| Synonyms | 4-[2-(5-Octyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI, 4-[2-(5-Octyl-2-furanyl)ethyl]-2-methoxyphenol, 9ci, (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D- glucoside, (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside, (25S)-5beta-Spirostan-3beta-yl beta-D-glucopyranoside, (25S)-5beta-Spirostan-3beta-yl beta-D-glucoside, 25S-5-beta-SPIROSTAN-3-beta-ol-3-O-bet, Sarsasaponin monoglucoside |
| 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 | 2-Methoxy-4-(2-(5-octyl-2-furanyl)ethyl)phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 330.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -5.754568266666666 |
| Inchi | InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-18-13-14-19(24-18)12-10-17-11-15-20(22)21(16-17)23-2/h11,13-16,22H,3-10,12H2,1-2H3 |
| Smiles | CCCCCCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Furanoid fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients