302043 <common-name>4-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxobutanoic acid</common-name> <description>4-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxobutanoic acid belongs to the butyrophenones, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C16H18O5 and an average molecular weight of 290.31 g/mol.</description> <cas nil="true"/> <pubchem-id>52230</pubchem-id> <chemical-formula>C16H18O5</chemical-formula> <weight>290.31</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">2026-08-28T19:06:25Z</created-at> <updated-at type="dateTime">2026-08-28T19:06:25Z</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>CCC1=C(C2=C(C=CC(=C2O1)OC)C(=O)CCC(=O)O)C</moldb-smiles> <moldb-formula>C16H18O5</moldb-formula> <moldb-inchi>InChI=1S/C16H18O5/c1-4-12-9(2)15-10(11(17)6-8-14(18)19)5-7-13(20-3)16(15)21-12/h5,7H,4,6,8H2,1-3H3,(H,18,19)</moldb-inchi> <moldb-inchikey>JDOSTLJKZAGXCU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">290.1154237</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM297936</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-(2-ethyl-7-methoxy-3-methyl-1-benzofuran-4-yl)-4-oxobutanoic acid</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>Butyrophenones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0253267</sync-id> <structure-inchikey>JDOSTLJKZAGXCU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80001008800200000100040000000000000000000800000000480000000002000000000000000000000004000000000000000000000000000000100000000000000000000000000000000020800200000100000000000000000000000000010000000040002000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000800800000010040000000000000000000080000000000000000000040000000000000000080000008000000000800000000000000000000040000002000400200000000000120000000000000000040000000000400000000000020008100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQCgAAAADBAhAKAAAAAMCCAAoAAAAAwIGAGAAAAAB AwYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgA AAADAggAaAAAAAMBAQYAYAAAAAEDCwABAAECAAIDaAwDBGgMBAVoDAUGaAwG B2gMBwhoDAgJaAwJCmgMCAsgCwwABQ0gDQ4oAg0PAA8QABARABESKAIREyAD FAAKAmgMCQRoDEICAAAABQIDBAkKBgUGBwgJBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:33Z</structure-indexed-at> </compound>