1.0 2019-08-07 19:54:53 UTC 2020-04-06 23:39:26 UTC FDB034840 keratan sulfate I C15H22N2O3 278.352 278.163042576 5-[(3-butoxy-4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazol-2-ol 4-[(3-butoxy-4-methoxyphenyl)methyl]-4,5-dihydro-3H-imidazol-2-ol CCCCOC1=C(OC)C=CC(CC2CN=C(O)N2)=C1 InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18) PDMUULPVBYQBBK-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imidazolidinones Methoxybenzenes Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Ureas Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Azacycle Carbonic acid derivative Carbonyl group Ether Hydrocarbon derivative Imidazolidine Imidazolidinone Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Urea logp 2.41 ALOGPS logs -3.24 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic -2.9 ChemAxon pka_strongest_basic 15 ChemAxon iupac 5-[(3-butoxy-4-methoxyphenyl)methyl]-4,5-dihydro-1H-imidazol-2-ol ChemAxon average_mass 278.352 ChemAxon mono_mass 278.163042576 ChemAxon smiles CCCCOC1=C(OC)C=CC(CC2CN=C(O)N2)=C1 ChemAxon formula C15H22N2O3 ChemAxon inchi InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18) ChemAxon inchikey PDMUULPVBYQBBK-UHFFFAOYSA-N ChemAxon polar_surface_area 63.08 ChemAxon refractivity 77.33 ChemAxon polarizability 30.8 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 35503 Specdb::CMs 48932 Specdb::CMs 150064 Specdb::MsMs 903634 Specdb::MsMs 903635 Specdb::MsMs 903636 Specdb::MsMs 949174 Specdb::MsMs 949175 Specdb::MsMs 949176 Specdb::MsMs 2824162 Specdb::MsMs 2824163 Specdb::MsMs 2824164 Specdb::MsMs 2854906 Specdb::MsMs 2854907 Specdb::MsMs 2854908 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823