61543 <common-name>1-(2,4-Dimethoxyphenyl)ethan-1-one</common-name> <description>1-(2,4-Dimethoxyphenyl)ethan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C10H12O3 and an average molecular weight of 180.20 g/mol.</description> <cas>829-20-9</cas> <pubchem-id>70016</pubchem-id> <chemical-formula>C10H12O3</chemical-formula> <weight>180.2</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">2026-03-31T19:39:54Z</created-at> <updated-at type="dateTime">2026-08-17T23:51:23Z</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(OC)=C(C=C1)C(C)=O</moldb-smiles> <moldb-formula>C10H12O3</moldb-formula> <moldb-inchi>InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3</moldb-inchi> <moldb-inchikey>VQTDPCRSXHFMOL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">180.203</moldb-average-mass> <moldb-mono-mass type="decimal">180.078644</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63208</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>CHEM057436</chemdb-id> <dsstox-id>DTXSID70232073</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010809</susdat-id> <iupac>1-(2,4-dimethoxyphenyl)ethanone</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>49.38720000000001</moldb-refractivity> <moldb-polarizability>18.880294147256464</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>15.812926018547351</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.5646668756497055</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.66</moldb-alogps-logp> <moldb-alogps-logs>-2.06</moldb-alogps-logs> <moldb-alogps-solubility>1.56e+00 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">6</paper-count> <sync-id>CED0040083</sync-id> <structure-inchikey>VQTDPCRSXHFMOL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000000400000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000100020000000000100000200000000000000040000010000000040000000100000000000000000000000000000000000400000000040000000000000000000000000000000000000000000000002000000000000000000000000000000080000000000000000000000000000000000000080000000000000000002000000000000000000000000000000000200000000000000000800000000000040000000000400000000000028200100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQIACgAAAADAgYAYAAAAAEDBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACgAAAADBAYAYAAAAAEDCAAoAAAA AwILAAEAAQIgAgNoDAMEaAwEBSAFBgAEB2gMBwhoDAgJaAwHCiAKCwAKDCgC CQJoDEIBAAAABgIJCAcEAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:50Z</structure-indexed-at> </compound>