307517 <common-name>Pyridin-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate</common-name> <description>Pyridin-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H19NO3 and an average molecular weight of 285.34 g/mol.</description> <cas>101711-02-8</cas> <pubchem-id>58811</pubchem-id> <chemical-formula>C17H19NO3</chemical-formula> <weight>285.34</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T01:39:17Z</created-at> <updated-at type="dateTime">2026-08-29T01:39:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC=CC=N2)O</moldb-smiles> <moldb-formula>C17H19NO3</moldb-formula> <moldb-inchi>InChI=1S/C17H19NO3/c1-13(2)17(20,14-8-4-3-5-9-14)16(19)21-12-15-10-6-7-11-18-15/h3-11,13,20H,12H2,1-2H3</moldb-inchi> <moldb-inchikey>FLUMCGBIBFGWKF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">285.1364935</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM303410</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Pyridin-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylpropanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0258560</sync-id> <structure-inchikey>FLUMCGBIBFGWKF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000200800000002000000012000008000000000000010000400000001000000000000000000000002004000000000000008000000000080000000000000000000000000000004000000020000000000100000008000040000000000000010000000000000000000000000000000000000000000000000000000000000040000000800000000000000050000000000100000000000000010008000000000000000000000000080000000040000000080000000000000000000000000000000000000000000000000000000000000000000000000200200000000000000000001000002040000000080400000000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� �����@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(�������`������@(������@h�������@h�������@h�������@h�������@(�������`��������������������h���h���h���h�� h�� � �(� � � � ����h���h���h���h���h���� �h���h�B��������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:40Z</structure-indexed-at> </compound>