68466 <common-name>3',4',5'-Trimethoxyacetophenone</common-name> <description>3',4',5'-Trimethoxyacetophenone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is an organic oxygen compound with the formula C11H14O4 and an average molecular weight of 210.23 g/mol.</description> <cas>1136-86-3</cas> <pubchem-id>14345</pubchem-id> <chemical-formula>C11H14O4</chemical-formula> <weight>210.23</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">2026-04-03T12:31:57Z</created-at> <updated-at type="dateTime">2026-08-18T10:41:49Z</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(=CC(OC)=C1OC)C(C)=O</moldb-smiles> <moldb-formula>C11H14O4</moldb-formula> <moldb-inchi>InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3</moldb-inchi> <moldb-inchikey>VUGQIIQFXCXZJU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">210.229</moldb-average-mass> <moldb-mono-mass type="decimal">210.089209</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13706</chemspider-id> <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>CHEM064359</chemdb-id> <dsstox-id>DTXSID30150481</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023694</susdat-id> <iupac>1-(3,4,5-trimethoxyphenyl)ethanone</iupac> <moldb-polar-surface-area>44.760000000000005</moldb-polar-surface-area> <moldb-refractivity>55.85040000000001</moldb-refractivity> <moldb-polarizability>21.848714309189447</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>16.01333260317831</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.45376939609764</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.64</moldb-alogps-logp> <moldb-alogps-logs>-2.36</moldb-alogps-logs> <moldb-alogps-solubility>9.11e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">42</paper-count> <sync-id>CED0024544</sync-id> <structure-inchikey>VUGQIIQFXCXZJU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000002000000000000400000000000000000000000800000000000000000000000000000000000000000000004000000420000000000100000000000000000000000000010000000040000000100000000000000000000000000000000000400000000040000000000000000000000000000000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000080000000000000010000000000000000000000000000000000000000000000000000000800000000000040000800000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(������@h�������@(�������(�������`������@(�������(�������`�������(�������`�������(����������� ��h���h���h���h��� ���� h� ���� � ���(� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:21Z</structure-indexed-at> </compound>