1.0 2019-08-26 16:59:11 UTC 2019-11-26 03:24:12 UTC FDB093467 pentacosadienyl-resorcinol (C25:2) C31H52O2 456.755 456.396730914 2-[(16E,19E)-pentacosa-16,19-dien-1-yl]benzene-1,3-diol 2-[(16E,19E)-pentacosa-16,19-dien-1-yl]benzene-1,3-diol CCCCC\C=C\C\C=C\CCCCCCCCCCCCCCCC1=C(O)C=CC=C1O InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-30(32)27-25-28-31(29)33/h6-7,9-10,25,27-28,32-33H,2-5,8,11-24,26H2,1H3/b7-6+,10-9+ FVPWHUZEOIDVMM-AVQMFFATSA-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 10.38 ALOGPS logs -7.16 ALOGPS solubility 3.19e-05 g/l ALOGPS logp 11.83 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 2-[(16E,19E)-pentacosa-16,19-dien-1-yl]benzene-1,3-diol ChemAxon average_mass 456.755 ChemAxon mono_mass 456.396730914 ChemAxon smiles CCCCC\C=C\C\C=C\CCCCCCCCCCCCCCCC1=C(O)C=CC=C1O ChemAxon formula C31H52O2 ChemAxon inchi InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-30(32)27-25-28-31(29)33/h6-7,9-10,25,27-28,32-33H,2-5,8,11-24,26H2,1H3/b7-6+,10-9+ ChemAxon inchikey FVPWHUZEOIDVMM-AVQMFFATSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 147.72 ChemAxon polarizability 60.09 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific 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 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 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 Wild rice Type 1 specific Zizania 15949