<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">340124</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate</common-name>
  <description>Ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate is a chemical compound with the formula C24H30O6. It has an average molecular weight of 414.50 g/mol.</description>
  <cas>99661-88-8</cas>
  <pubchem-id>3063023</pubchem-id>
  <chemical-formula>C24H30O6</chemical-formula>
  <weight>414.5</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">2026-08-30T23:35:53Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:35:53Z</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>CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)(C)C(=O)OCC</moldb-smiles>
  <moldb-formula>C24H30O6</moldb-formula>
  <moldb-inchi>InChI=1S/C24H30O6/c1-7-27-21(25)23(3,4)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-24(5,6)22(26)28-8-2/h9-16H,7-8H2,1-6H3</moldb-inchi>
  <moldb-inchikey>ATCKCQQANSHFIY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">414.2042387</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM336017</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>Ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate</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>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290540</sync-id>
  <structure-inchikey>ATCKCQQANSHFIY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000200800000002000000010000000000000000000000000000000000002000004200000000000000000800000000000000000000000000000000000000800000000000000000000000020000000000100010200000000000020000000010000000000000000000000800000000000000000000000000000000000000040000000000000000000000000800000000001000000020000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000000000000000040000000000400000000020800000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAHwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:27Z</structure-indexed-at>
</compound>
