<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338918</id>
  <title nil="true"/>
  <common-name>[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone</common-name>
  <description>[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone is a chemical compound with the formula C24H23ClO2. It has an average molecular weight of 378.90 g/mol.</description>
  <cas>80843-74-9</cas>
  <pubchem-id>3067129</pubchem-id>
  <chemical-formula>C24H23ClO2</chemical-formula>
  <weight>378.9</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">2026-08-30T22:05:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:05:48Z</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>CC(C)(COCC1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C24H23ClO2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H23ClO2/c1-24(2,21-11-13-22(25)14-12-21)17-27-16-18-7-6-10-20(15-18)23(26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3</moldb-inchi>
  <moldb-inchikey>HKRQCVQVDLJMBV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">378.1386577</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.2</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>CHEM334811</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>[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone</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>Benzophenones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289344</sync-id>
  <structure-inchikey>HKRQCVQVDLJMBV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000800000406000000000000000000000000080000000000000000000000000000000000000000004800000000000000000000001800000000000000000400000002000000000000020000000000100000000000040000000000000010080000000000000108000000000000000000000000000000000000001000040220000800000000000000000000000000100000000000000000000000000000000000000000000084000000040080000000000000000000000000000000000000000200000000000000000400010000000400000000220000100000000000000000000000040000000000420000000000000004080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`������@(������@h�������@(������@h�������@h�������@h��������(�������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������� �������������������������h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:33Z</structure-indexed-at>
</compound>
