<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">14088</id>
  <title nil="true"/>
  <common-name>Phenol, 4-(1-methyl-1-phenylethyl)-</common-name>
  <description nil="true"/>
  <cas>599-64-4</cas>
  <pubchem-id>11742</pubchem-id>
  <chemical-formula>C15H16O</chemical-formula>
  <weight>212.29</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">2016-05-19T04:05:31Z</created-at>
  <updated-at type="dateTime">2026-04-17T17:54:42Z</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>DB06902</drugbank-id>
  <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)(C1=CC=CC=C1)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C15H16O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3</moldb-inchi>
  <moldb-inchikey>QBDSZLJBMIMQRS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">212.2869</moldb-average-mass>
  <moldb-mono-mass type="decimal">212.120115134</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>11249</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>CHEM012983</chemdb-id>
  <dsstox-id>DTXSID3022536</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009362</susdat-id>
  <iupac>4-(2-phenylpropan-2-yl)phenol</iupac>
</compound>
