1.0 2020-04-02 17:49:06 UTC 2020-04-02 17:49:07 UTC FDB097326 Oleocanthal C19H24O2 284.399 284.177630013 2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate 2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate CCCCCC\C=C\C=C\C#CC#C\C=C\COC(C)=O InChI=1S/C19H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+ DYZRQRYBGTXIBN-LXIBMNCBSA-N belongs to the class of organic compounds known as tyrosols and derivatives. Tyrosols and derivatives are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. Tyrosols and derivatives Organic compounds Benzenoids Phenols Tyrosols and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha-hydrogen aldehydes Benzene and substituted derivatives Carboxylic acid esters Enals Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid Aldehyde Alpha,beta-unsaturated aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enal Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Tyrosol derivative carboxylic ester dialdehyde enal phenols logp 2.95 ALOGPS logs -4.29 ALOGPS solubility 1.56e-02 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate ChemAxon average_mass 284.399 ChemAxon mono_mass 284.177630013 ChemAxon smiles CCCCCC\C=C\C=C\C#CC#C\C=C\COC(C)=O ChemAxon formula C19H24O2 ChemAxon inchi InChI=1S/C19H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+ ChemAxon inchikey DYZRQRYBGTXIBN-LXIBMNCBSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 83.27 ChemAxon polarizability 31.7 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5576 Specdb::MsMs 239755 Specdb::MsMs 239756 Specdb::MsMs 239757 Specdb::MsMs 241810 Specdb::MsMs 241811 Specdb::MsMs 241812 Specdb::MsMs 3610102 Specdb::MsMs 3610103 Specdb::MsMs 3610104 Specdb::MsMs 3610105 Specdb::MsMs 3610106 Specdb::MsMs 3610107 Milk (Cow) Type 2 specific 38.19 103.0 0.76 uM Olive oil Type 2