301108 <common-name>2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid</common-name> <description>2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid belongs to the anisoles, a subclass of phenol ethers within the organic compounds. This benzenoid compound has the chemical formula C16H15NO4 and an average molecular weight of 285.29 g/mol.</description> <cas>101284-22-4</cas> <pubchem-id>4064015</pubchem-id> <chemical-formula>C16H15NO4</chemical-formula> <weight>285.29</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">2026-08-28T18:03:38Z</created-at> <updated-at type="dateTime">2026-08-28T18:03:38Z</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=CC=C(C=C1)C2=C(C(=O)C(CC2)C#N)CC(=O)O</moldb-smiles> <moldb-formula>C16H15NO4</moldb-formula> <moldb-inchi>InChI=1S/C16H15NO4/c1-21-12-5-2-10(3-6-12)13-7-4-11(9-17)16(20)14(13)8-15(18)19/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,19)</moldb-inchi> <moldb-inchikey>SFIGDOPCEQCRPP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">285.100108</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM297001</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>2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic 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>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252360</sync-id> <structure-inchikey>SFIGDOPCEQCRPP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000800000000000000000000000000000000000000000000000080000000020240000080000000014000000000000000000008000000000000000000000000000000000000000000020000020000100000200000000000000040200010008010040000000000000800020020000000001000000000000100000000040000000000000000000000000800000000000000000000000010000000000000004000000000000088000000000000000000000000000000000000080000000001000000000000000000000000000000000000002600200000000000100000000000000000040000000000400000000000004008000000008000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGACgAAAADBAYAKAAAAAMEBgAoAAAAAwQIACgAAAADAgYAYAAA AAMBBgBgAAAAAgIGAGAAAAACAgYAKAAAAAIEBwAoAAAAAgMGAGAAAAACAgYA KAAAAAMECAAoAAAAAwIIAGgAAAADAQELAAEAAQIgAgNoDAMEaAwEBWgMBQZo DAYHaAwFCCAICSgCCQogCgsoAgoMAAwNAA0OAAwPAA8QCAMJEQAREgASEygC EhQgBwJoDA4IAEICAAAABgIHBgUEAwYJCgwNDggXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:56Z</structure-indexed-at> </compound>