<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4040</id>
  <title>T3D3986</title>
  <common-name>1-Hydroxyphenanthrene</common-name>
  <description>1-Hydroxyphenanthrene belongs to the phenanthrols, a subclass of phenanthrenes and derivatives within the organic compounds. This exogenous compound has the chemical formula C14H10O and an average molecular weight of 194.23 g/mol. It is classified as a benzenoid and exists as a solid at room temperature.

The compound is found in or released from three recorded sources. These include household cleaning and consumer products, specifically pipe accessories and non electric simulated smoking devices, as well as food, food processing and cookware, specifically the preparation of vinegar.</description>
  <cas>2433-56-9</cas>
  <pubchem-id>98490</pubchem-id>
  <chemical-formula>C14H10O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:48:40Z</created-at>
  <updated-at type="dateTime">2026-04-05T16:43:07Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11432</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>27528</chebi-id>
  <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>OC1=CC=CC2=C1C=CC1=CC=CC=C21</moldb-smiles>
  <moldb-formula>C14H10O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H</moldb-inchi>
  <moldb-inchikey>GTBXZWADMKOZQJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">194.2286</moldb-average-mass>
  <moldb-mono-mass type="decimal">194.073164942</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB59797</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>88945</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>CHEM002946</chemdb-id>
  <dsstox-id>DTXSID90872758</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00077134</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>60.93930000000001</moldb-refractivity>
  <moldb-polarizability>21.357780346490827</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.56592429246752</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-5.596229125769853</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.15</moldb-alogps-logp>
  <moldb-alogps-logs>-4.43</moldb-alogps-logs>
  <moldb-alogps-solubility>7.18e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenanthrenes and derivatives</klass>
  <subklass>Phenanthrols</subklass>
  <paper-count type="integer">296</paper-count>
  <sync-id>CED0013336</sync-id>
  <structure-inchikey>GTBXZWADMKOZQJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000010000000010000000000000000000000000000000000000000000000001000000000001800080000000000000000000000100000000000000000000000000000000000000040000080000000000000000000000000000000000000000000000040000402100000000000000000000000000000004000200000000000000000001000001000040000000000000000000000000000000000000000000</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���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:03Z</structure-indexed-at>
</compound>
