<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316995</id>
  <title nil="true"/>
  <common-name>[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-(4-methylphenyl)methanone</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>34613</pubchem-id>
  <chemical-formula>C19H19NO3</chemical-formula>
  <weight>309.4</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">2026-08-29T14:55:04Z</created-at>
  <updated-at type="dateTime">2026-08-29T14:55:04Z</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>CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN(C)C</moldb-smiles>
  <moldb-formula>C19H19NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C19H19NO3/c1-12-4-6-13(7-5-12)19(22)15-11-23-17-9-8-16(21)14(18(15)17)10-20(2)3/h4-9,11,21H,10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>OPNNDCHFXRXAHC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">309.1364935</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM312888</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>[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-(4-methylphenyl)methanone</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0267826</sync-id>
  <structure-inchikey>OPNNDCHFXRXAHC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000800000000000000000000000000000000000001001000000000000000000800000000400000080000000000000000000400000000010000000000000000000000000000000000028800000000800000000000000000000000000010000000000000000004000000000000000000000000000000000000000000040000000000000000000000000100000200000000000c00000000000000000000000000000000000084000000000020000000000100000000000000000000000000000002100000000000000000000004000002000000200080100000000a00100000000000040000040000480000000000000008100000000002000</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��� ��(��	 	
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	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:22:56Z</structure-indexed-at>
</compound>
