1.0 2026-09-22 04:56:42 UTC 2026-09-22 04:56:42 UTC FDB117738 methyl di-t-butyl hydroxyhydrocinnamate methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate C18H28O3 292.419 292.203844762 methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate COC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 PXMJCECEFTYEKE-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds Carbonyl compounds Fatty acid esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Phenols Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylpropane logp 4.95 ALOGPS logs -4.66 ALOGPS solubility 6.36e-03 g/l ALOGPS logp 4.99 ChemAxon pka_strongest_acidic 10.75 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate ChemAxon average_mass 292.419 ChemAxon mono_mass 292.203844762 ChemAxon smiles COC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C ChemAxon formula C18H28O3 ChemAxon inchi InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3 ChemAxon inchikey PXMJCECEFTYEKE-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 86.05 ChemAxon polarizability 34.69 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1237537 Specdb::MsMs 1237538 Specdb::MsMs 1237539 Specdb::MsMs 1352995 Specdb::MsMs 1352996 Specdb::MsMs 1352997