342822 <common-name>3-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol</common-name> <description>3-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol is a chemical compound with the formula C25H31NO6. It has an average molecular weight of 441.50 g/mol.</description> <cas>40680-99-7</cas> <pubchem-id>38607</pubchem-id> <chemical-formula>C25H31NO6</chemical-formula> <weight>441.5</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">2026-08-31T04:00:18Z</created-at> <updated-at type="dateTime">2026-08-31T04:00:18Z</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>COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(CCC4=CC(=CC=C4)O)O</moldb-smiles> <moldb-formula>C25H31NO6</moldb-formula> <moldb-inchi>InChI=1S/C25H31NO6/c1-29-22-19-10-14-31-23(19)25(30-2)24(32-15-13-26-11-3-4-12-26)21(22)20(28)9-8-17-6-5-7-18(27)16-17/h5-7,10,14,16,20,27-28H,3-4,8-9,11-13,15H2,1-2H3</moldb-inchi> <moldb-inchikey>AYHWGRWLMHSBGC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">441.2151377</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM338715</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>3-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol</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>Organoheterocyclic compounds</superklass> <klass>Benzofurans</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0293207</sync-id> <structure-inchikey>AYHWGRWLMHSBGC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4004000000000000400080004080000004000000020000000001000010000000000000000000000000040000000000040000000000000000000000000000020000000400000000000000000000000000000080000000010000000000104000000000100001000000004000000010000004008002010000000000000000000000080100004020000080000000000000400000000000000000000040100000000000000000000000000084200008000000000200001008000080a000000400000082000000000000052000002000000000008000000000000000000228000000010000000000800000000040000000000000000000000000000002000000000000</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� �h������h�B��������������� �����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:42:20Z</structure-indexed-at> </compound>