2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
PubChem CID: 11000257
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| Compound Synonyms | 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan, 143114-90-3, Phenol, 4-[2-(5-butyl-2-furanyl)ethyl]-2-methoxy-, 4-[2-(5-butyl-2-furyl)ethyl]-2-methoxy-phenol, SCHEMBL8236421, CHEMBL2071438, DTXSID40451416, CHEBI:174626, 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol, 4-[2-(5-butyluran-2-yl)ethyl]-2-methoxyphenol, 4-[2-(5-Butyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from dry rhizomes of ginger Zingiber officinale. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 3.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C17H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VFYKGOGEJRZWKU-UHFFFAOYSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -5.121 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.091 |
| Synonyms | 4-[2-(5-Butyl-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 | 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.163532 |
| Inchi | InChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3 |
| Smiles | CCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all