1.0 2010-04-08 22:13:51 UTC 2025-11-19 02:13:07 UTC FDB018656 (3,4-Dihydroxyphenylethyl)-elenaiate Isolated from leaves of Olea europaea (olive). (3,4-Dihydroxyphenylethyl)-elenaiate is found in herbs and spices and fruits. (3,4-Dihydroxyphenylethyl)-elenaiate C19H22O8 378.3732 378.13146768 methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-formyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-formyl-6-methyl-5,6-dihydro-4H-pyran-3-carboxylate 50915-70-3 COC(=O)C1=COC(C)C(C=O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1 InChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3 DEBZOPZQKONWTK-UHFFFAOYSA-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aldehydes Benzene and substituted derivatives Catechols Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Methyl esters Organic oxides Oxacyclic compounds Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aldehyde Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Dicarboxylic acid or derivatives Enoate ester Hydrocarbon derivative Methyl ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tyrosol derivative Vinylogous ester logp 2.01 ALOGPS logs -3.85 ALOGPS solubility 5.33e-02 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 9.28 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-formyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate ChemAxon average_mass 378.3732 ChemAxon mono_mass 378.13146768 ChemAxon smiles COC(=O)C1=COC(C)C(C=O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1 ChemAxon formula C19H22O8 ChemAxon inchi InChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3 ChemAxon inchikey DEBZOPZQKONWTK-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 94.51 ChemAxon polarizability 37.55 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24181 Specdb::CMs 46280 Specdb::CMs 169340 Specdb::MsMs 8066 Specdb::MsMs 8067 Specdb::MsMs 8068 Specdb::MsMs 14738 Specdb::MsMs 14739 Specdb::MsMs 14740 Specdb::MsMs 2695368 Specdb::MsMs 2695369 Specdb::MsMs 2695370 Specdb::MsMs 2986792 Specdb::MsMs 2986793 Specdb::MsMs 2986794 HMDB0039137 Fruits Unknown generic Herbs and Spices Unknown generic