1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:25 UTC FDB020767 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan Isolated from dry rhizomes of ginger Zingiber officinale. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 4-[2-(5-Butyl-2-furanyl)ethyl]-2-methoxyphenol, 9CI C17H22O3 274.3548 274.15689457 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol 143114-90-3 CCCCC1=CC=C(CCC2=CC(OC)=C(O)C=C2)O1 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 VFYKGOGEJRZWKU-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Furans Heteroaromatic compounds Hydrocarbon derivatives Hydroxy fatty acids Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Hydroxy fatty acid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 5.01 ALOGPS logs -4.31 ALOGPS solubility 1.35e-02 g/l ALOGPS logp 4.56 ChemAxon pka_strongest_acidic 10.24 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol ChemAxon average_mass 274.3548 ChemAxon mono_mass 274.15689457 ChemAxon smiles CCCCC1=CC=C(CCC2=CC(OC)=C(O)C=C2)O1 ChemAxon formula C17H22O3 ChemAxon 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 ChemAxon inchikey VFYKGOGEJRZWKU-UHFFFAOYSA-N ChemAxon polar_surface_area 42.6 ChemAxon refractivity 80.26 ChemAxon polarizability 32.29 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 307906 Specdb::MsMs 307907 Specdb::MsMs 307908 Specdb::MsMs 351958 Specdb::MsMs 351959 Specdb::MsMs 351960 Specdb::MsMs 2425690 Specdb::MsMs 2425691 Specdb::MsMs 2425692 Specdb::MsMs 2509243 Specdb::MsMs 2509244 Specdb::MsMs 2509245 Specdb::CMs 18869 Specdb::CMs 47030 Specdb::CMs 165874 HMDB40926 #<Reference:0x000055ce32abe400> Herbs and Spices Unknown generic