<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347915</id>
  <title nil="true"/>
  <common-name>[3-(2-formylphenoxy)-2-hydroxypropyl]-triphenylphosphanium</common-name>
  <description>[3-(2-formylphenoxy)-2-hydroxypropyl]-triphenylphosphanium is a compound with the formula C28H26O3P+. It has an average molecular weight of 441.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3384260</pubchem-id>
  <chemical-formula>C28H26O3P+</chemical-formula>
  <weight>441.5</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">2026-08-31T11:46:07Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:46:07Z</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>C1=CC=C(C=C1)[P+](CC(COC2=CC=CC=C2C=O)O)(C3=CC=CC=C3)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C28H26O3P+</moldb-formula>
  <moldb-inchi>InChI=1S/C28H26O3P/c29-20-23-12-10-11-19-28(23)31-21-24(30)22-32(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-20,24,30H,21-22H2/q+1</moldb-inchi>
  <moldb-inchikey>HRQBPUWSEQUIQP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">441.1619567</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM343808</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-formylphenoxy)-2-hydroxypropyl]-triphenylphosphanium</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>Phenylphosphines and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298251</sync-id>
  <structure-inchikey>HRQBPUWSEQUIQP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000200000000000000000000000000100000000001000000000000000000000000000004000000000800400000000000000000000000000000000000000000000000000020200000800300000000000000000000000000010000000000000000000000000000000000000040000000000800000000000001040000800000000000010000000000000100000000000000000000000000000000000000400000080000002000000000080000000000000002000000000000000000000000000000002000000000000000000040000200000000000000000000020000000044000000000000000200000020000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIwAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:27Z</structure-indexed-at>
</compound>
