1.0 2010-04-08 22:05:35 UTC 2020-02-24 19:10:40 UTC FDB002935 5-Nonadecyl-1,3-benzenediol Constituent of wheat bran. 5-Nonadecyl-1,3-benzenediol is found in many foods, some of which are common wheat, pasta, wheat bread, and oat. 1,3-Benzenediol, 5-nonadecyl- 1,3-Dihydroxy-5-nonadecylbenzene 5-(n-nonadecyl)resorcinol 5-Nonadecylresorcinol C25H44O2 376.6157 376.334130652 5-nonadecylbenzene-1,3-diol 5-nonadecylbenzene-1,3-diol 35176-46-6 CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1 InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3 PUNOCEUUYUXUGR-UHFFFAOYSA-N belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. Resorcinols Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Resorcinol logp 9.33 ALOGPS logs -6.65 ALOGPS solubility 8.49e-05 g/l ALOGPS melting_point Mp 96.5-97.5° logp 9.88 ChemAxon pka_strongest_acidic 9.36 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-nonadecylbenzene-1,3-diol ChemAxon average_mass 376.6157 ChemAxon mono_mass 376.334130652 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1 ChemAxon formula C25H44O2 ChemAxon inchi InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3 ChemAxon inchikey PUNOCEUUYUXUGR-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 117.88 ChemAxon polarizability 50.87 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5550 Specdb::CMs 42269 Specdb::CMs 157652 Specdb::MsMs 58173 Specdb::MsMs 58174 Specdb::MsMs 58175 Specdb::MsMs 114039 Specdb::MsMs 114040 Specdb::MsMs 114041 Specdb::MsMs 452207 Specdb::MsMs 2768699 Specdb::MsMs 2768700 Specdb::MsMs 2768701 Specdb::MsMs 2914073 Specdb::MsMs 2914074 Specdb::MsMs 2914075 HMDB30956 #<Reference:0x000055ce305687f0> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 0.715892 0.715892294 0.715892294 mg/100 g Breakfast cereal Type 2 specific 26.154073 48.312646866 3.995500088 mg/100 g Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 7.375649 14.517964024 0.233333336 mg/100 g Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 2.951832 5.903664513 0.0 mg/100 g Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 0.0 0.0 0.0 mg/100 g Oriental wheat Type 1 specific Triticum turanicum 376534 Pasta Type 2 specific 2.384208 3.838416656 0.930000007 mg/100 g Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 0.0 0.0 0.0 mg/100 g Rye Type 1 specific Secale cereale 4550 11.766711 20.41492161 3.118500074 mg/100 g Rye bread Type 2 specific 20.029269 20.029269118 20.029269118 mg/100 g Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wheat bread Type 2 specific 4.7885 9.576999982 0.0 mg/100 g Wild rice Type 1 specific Zizania 15949