<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">86460</id>
  <title nil="true"/>
  <common-name>2,4-Dimethylphloroglucinol</common-name>
  <description>2,4-Dimethylphloroglucinol belongs to the benzenetriols and derivatives, a subclass of phenols within the organic compounds. It is a member of the benzenoids superclass with the formula C8H10O3. The compound has an average molecular weight of 154.16 g/mol.</description>
  <cas>4463-02-9</cas>
  <pubchem-id>78214</pubchem-id>
  <chemical-formula>C8H10O3</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T21:36:05Z</created-at>
  <updated-at type="dateTime">2026-04-04T21:36:05Z</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>CC1=C(O)C(C)=C(O)C=C1O</moldb-smiles>
  <moldb-formula>C8H10O3</moldb-formula>
  <moldb-inchi>InChI=1/C8H10O3/c1-4-6(9)3-7(10)5(2)8(4)11/h3,9-11H,1-2H3</moldb-inchi>
  <moldb-inchikey>XIRABDOOVRWLFU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">154.165</moldb-average-mass>
  <moldb-mono-mass type="decimal">154.0629942</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM082353</chemdb-id>
  <dsstox-id>DTXSID20196257</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00046801</susdat-id>
  <iupac nil="true"/>
  <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>Phenols</klass>
  <subklass>Benzenetriols and derivatives</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0054692</sync-id>
  <structure-inchikey>XIRABDOOVRWLFU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000100000000000000000000000000000000000000000000040000000000000000000000000000000000000000008000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000002100000000008000000000000000002000000000000000000000000000000000000040002000000000000000000000000000000000000200</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�B������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:30:53Z</structure-indexed-at>
</compound>
