299774 <common-name>4-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile</common-name> <description>4-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile belongs to the benzofurans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C16H11NO2 and an average molecular weight of 249.26 g/mol.</description> <cas>117238-55-8</cas> <pubchem-id>3088257</pubchem-id> <chemical-formula>C16H11NO2</chemical-formula> <weight>249.26</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">2026-08-28T16:26:03Z</created-at> <updated-at type="dateTime">2026-08-28T16:26:03Z</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>C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)C#N)O</moldb-smiles> <moldb-formula>C16H11NO2</moldb-formula> <moldb-inchi>InChI=1S/C16H11NO2/c17-10-11-5-7-12(8-6-11)16(18)15-9-13-3-1-2-4-14(13)19-15/h1-9,16,18H</moldb-inchi> <moldb-inchikey>MROLIVLEGPGQPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">249.0789786</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM295667</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-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile</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>CED0251064</sync-id> <structure-inchikey>MROLIVLEGPGQPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200000000000000002000000000000000000000000000000100000000040000000004000000000000000000000000000000000000000000000000000000000000000000000000000000004000000800020000000000000000000000000000200010000000000000000100000000000000000200000000100000000000000000000000001800000000080800000000000000900000000000000000000000000000000000000000400088000000000000000000000000000000000000000100000000000000800000000000000000000000001000000000200000000000000800000000005000040000000008000000000200000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMECEAoAAAAAwIGAGAAAAADAQZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACgAAAACBAcAKAAA AAIDCABgAAAAAQELAAFoDAECaAwCA2gMAwRoDAQFaAwEBmgMBgdoDAcIaAwH CQAJCgAKC2gMCwxoDAwNaAwNDmgMDg9oDA0QIBARKAMJEgAFAGgMCANoDA8K aAxCAwAAAAYABQQDAgEFBgQDCAcGCwwNDg8KFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:01Z</structure-indexed-at> </compound>