103549 <common-name>Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)</common-name> <description>Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI) belongs to the benzoylindoles, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C16H13NO2 and an average molecular weight of 251.28 g/mol.</description> <cas>22051-15-6</cas> <pubchem-id>211017</pubchem-id> <chemical-formula>C16H13NO2</chemical-formula> <weight>251.28</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">2026-04-05T10:44:03Z</created-at> <updated-at type="dateTime">2026-08-19T14:28:57Z</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)C(=O)C1=CNC2=CC=CC=C12</moldb-smiles> <moldb-formula>C16H13NO2</moldb-formula> <moldb-inchi>InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15/h2-10,17H,1H3</moldb-inchi> <moldb-inchikey>KLNHIIYKFBCQQB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.285</moldb-average-mass> <moldb-mono-mass type="decimal">251.0946287</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM099442</chemdb-id> <dsstox-id>DTXSID10176528</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00067964</susdat-id> <iupac>(1H-Indol-3-yl)(4-methoxyphenyl)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>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Benzoylindoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0130596</sync-id> <structure-inchikey>KLNHIIYKFBCQQB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400020000000000000000000000100000000000000000000000000000000000000000000000000208000000000000000000000000000000000004000000000000000000000000000000000000000000020000000000100000200000000000000040000030000010040000000000000000000000000000000000000000000000000000040000000800000200000000000000000000100000000000000000000000000000000000000040000084000000000020000000000000000000000000080000000040000000000000000000000000000004000000000000200000101000000000000000000000041000000000400004000000000000100002000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@h�������@8�������@(������@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">2026-09-19T04:41:03Z</structure-indexed-at> </compound>