<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">73514</id>
  <title nil="true"/>
  <common-name>3,4,5-Trimethoxybenzylic alcohol</common-name>
  <description>3,4,5-Trimethoxybenzylic alcohol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H14O4 and an average molecular weight of 198.22 g/mol.</description>
  <cas>3840-31-1</cas>
  <pubchem-id>77449</pubchem-id>
  <chemical-formula>C10H14O4</chemical-formula>
  <weight>198.22</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">2026-04-03T23:51:21Z</created-at>
  <updated-at type="dateTime">2026-08-18T01:10:11Z</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(CO)=CC(OC)=C1OC</moldb-smiles>
  <moldb-formula>C10H14O4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3</moldb-inchi>
  <moldb-inchikey>QPHLRCUCFDXGLY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">198.218</moldb-average-mass>
  <moldb-mono-mass type="decimal">198.089209</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>69858</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>CHEM069407</chemdb-id>
  <dsstox-id>DTXSID20191742</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00030379</susdat-id>
  <iupac>(3,4,5-trimethoxyphenyl)methanol</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>Benzyl alcohols</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0091095</sync-id>
  <structure-inchikey>QPHLRCUCFDXGLY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000800000000000000000000000000000000002000000400000002000000000000c00000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000010000000440000000100000000000000000000000000000000000001000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000080000000000000010000000000000000000000000000000000000020000000000000000000000000000040000800000000000000000020000000000000000000</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">2026-09-19T04:22:13Z</structure-indexed-at>
</compound>
