1.0 2010-04-08 22:05:36 UTC 2020-02-24 19:10:40 UTC FDB002971 5-(8-Pentadecenyl)-1,3-benzenediol Isolated from Ginkgo biloba (ginkgo) fruits. 5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut, ginkgo nuts, and fats and oils. 5-(8-Pentadecenyl)-1,3-benzenediol 5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol 5-[(8Z)-pentadec-8-enyl]resorcinol Bilobol Cardolmonoene Trifurcatol A2 C21H34O2 318.4935 318.255880332 5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol 5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol 22910-86-7 CCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1 InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+ TUGAUFMQYWZJAB-BQYQJAHWSA-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 8.00 ALOGPS logs -5.98 ALOGPS solubility 3.32e-04 g/l ALOGPS melting_point Mp 36-37° logp 7.74 ChemAxon pka_strongest_acidic 9.36 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol ChemAxon average_mass 318.4935 ChemAxon mono_mass 318.255880332 ChemAxon smiles CCCCCC\C=C\CCCCCCCC1=CC(O)=CC(O)=C1 ChemAxon formula C21H34O2 ChemAxon inchi InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+ ChemAxon inchikey TUGAUFMQYWZJAB-BQYQJAHWSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 100.59 ChemAxon polarizability 41.24 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11094 Specdb::CMs 42287 Specdb::CMs 162607 Specdb::MsMs 80070 Specdb::MsMs 80071 Specdb::MsMs 80072 Specdb::MsMs 140826 Specdb::MsMs 140827 Specdb::MsMs 140828 Specdb::MsMs 2267337 Specdb::MsMs 2267338 Specdb::MsMs 2267339 Specdb::MsMs 3071466 Specdb::MsMs 3071467 Specdb::MsMs 3071468 HMDB30983 3104 #<Reference:0x000055ce32bb7820> Cashew nut Type 1 specific Anacardium occidentale 171929 Fats and oils Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311