1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:04 UTC FDB018373 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol Isolated from Anacardium occidentale (cashew nut) shell oil. 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol is found in nuts. 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol, 9CI C22H34O2 330.5042 330.255880332 2-methyl-5-[(8Z,11E)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol 2-methyl-5-[(8Z,11E)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol 50423-14-8 CCC\C=C\C\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1 InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5+,9-8- IZGYQWUVUWZOPQ-NKEWZBFXSA-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 Hydrocarbon derivatives Organooxygen compounds Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety O-cresol Organic oxygen compound Organooxygen compound Resorcinol Toluene logp 7.80 ALOGPS logs -5.90 ALOGPS solubility 4.13e-04 g/l ALOGPS logp 7.89 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 2-methyl-5-[(8Z,11E)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol ChemAxon average_mass 330.5042 ChemAxon mono_mass 330.255880332 ChemAxon smiles CCC\C=C\C\C=C/CCCCCCCC1=CC(O)=C(C)C(O)=C1 ChemAxon formula C22H34O2 ChemAxon inchi InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5+,9-8- ChemAxon inchikey IZGYQWUVUWZOPQ-NKEWZBFXSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 106.75 ChemAxon polarizability 41.42 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16430 Specdb::CMs 46140 Specdb::CMs 136675 Specdb::CMs 144409 Specdb::MsMs 49428 Specdb::MsMs 49429 Specdb::MsMs 49430 Specdb::MsMs 177570 Specdb::MsMs 177571 Specdb::MsMs 177572 Specdb::MsMs 2357166 Specdb::MsMs 2357167 Specdb::MsMs 2357168 Specdb::MsMs 2608467 Specdb::MsMs 2608468 Specdb::MsMs 2608469 HMDB38909 #<Reference:0x000055ce2dd548e0> Nuts Unknown generic