<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 16:49:54 UTC</creation_date>
  <update_date>2026-08-31 16:49:54 UTC</update_date>
  <accession/>
  <common_name>3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid</common_name>
  <class>SmallMolecule</class>
  <description>3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid is a chemical compound with the formula C31H24O10. With an average molecular weight of 556.50 g/mol, 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid is a heavy molecule. This substance is found in or released from one recorded source, which is electrical and electronic equipment specifically related to communication cables or conductors.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C31H24O10</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>556.136947</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>53464-95-2</cas_registry_number>
  <smiles>CC(C)(C1=CC=C(C=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC(=C4C(=O)O)C(=O)O</smiles>
  <inchi>InChI=1S/C31H24O10/c1-31(2,17-9-13-19(14-10-17)40-23-7-3-5-21(27(32)33)25(23)29(36)37)18-11-15-20(16-12-18)41-24-8-4-6-22(28(34)35)26(24)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)</inchi>
  <inchikey>XZWYIEAOALEANP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>556.136947</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(C1=CC=C(C=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC(=C4C(=O)O)C(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C31H24O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C31H24O10/c1-31(2,17-9-13-19(14-10-17)40-23-7-3-5-21(27(32)33)25(23)29(36)37)18-11-15-20(16-12-18)41-24-8-4-6-22(28(34)35)26(24)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XZWYIEAOALEANP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf360f280&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>104508</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
