<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297825</id>
  <title nil="true"/>
  <common-name>(4-iodophenyl) octyl carbonate</common-name>
  <description>(4-iodophenyl) octyl carbonate belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C15H21IO3. The compound has an average molecular weight of 376.23 g/mol.</description>
  <cas>60075-63-0</cas>
  <pubchem-id>43192</pubchem-id>
  <chemical-formula>C15H21IO3</chemical-formula>
  <weight>376.23</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">2026-08-28T14:07:12Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:07:12Z</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>CCCCCCCCOC(=O)OC1=CC=C(C=C1)I</moldb-smiles>
  <moldb-formula>C15H21IO3</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21IO3/c1-2-3-4-5-6-7-12-18-15(17)19-14-10-8-13(16)9-11-14/h8-11H,2-7,12H2,1H3</moldb-inchi>
  <moldb-inchikey>DVOSSBAPRMJVJD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">376.05354</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM293718</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>(4-iodophenyl) octyl carbonate</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>Phenoxy compounds</subklass>
  <paper-count type="integer">44</paper-count>
  <sync-id>CED0024207</sync-id>
  <structure-inchikey>DVOSSBAPRMJVJD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000080000000000000001000000000000000000000000400000000000200000020000000000000000000000000000000000000000000010000000000000000000001000000000000002004000000010000020000000000000000042001000000000000000000000000000000000010000000000000000000000000004800000000000000000001000000000000000000000000004000000000000000000000000000000008000000000000000a000000000002010000000000000000000000200000000000000000000000000000000042000200000000000000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h������5� ������������������������������	 	
(�	� �� �h��h���h���h���h������h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:35Z</structure-indexed-at>
</compound>
