<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 07:14:24 UTC</creation_date>
  <update_date>2026-08-18 05:53:30 UTC</update_date>
  <accession/>
  <common_name>1,5-Dihydroxynaphthalene</common_name>
  <class>SmallMolecule</class>
  <description>1,5-Dihydroxynaphthalene belongs to the naphthols and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the chemical formula C10H8O2 and an average molecular weight of 160.17 g/mol. Industrially, the substance is utilized as a dye.

The compound is identified in 19 recorded sources across several categories. In electrical and electronic equipment, it is found in antennas, coils, conductors or conductive bodies characterized by the conductive materials, cores yokes or armatures, and electric switches, among five others. Within household cleaning and consumer products, it is associated with soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. In the sector of building and construction, it occurs in floors as well as tents or canopies. Additionally, it is found in drinking water and water supply systems. Regarding food, food processing, and cookware, the compound is linked to food preservation and the processing of meats. The recorded route of exposure for 1,5-dihydroxynaphthalene is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>naphthalene-1,5-diol</synonym>
  </synonyms>
  <chemical_formula>C10H8O2</chemical_formula>
  <average_molecular_weight>160.172</average_molecular_weight>
  <monisotopic_moleculate_weight>160.052429498</monisotopic_moleculate_weight>
  <iupac_name>naphthalene-1,5-diol</iupac_name>
  <traditional_iupac>1,5-dihydroxynaphthalene</traditional_iupac>
  <cas_registry_number>83-56-7</cas_registry_number>
  <smiles>OC1=CC=CC2=C1C=CC=C2O</smiles>
  <inchi>InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H</inchi>
  <inchikey>BOKGTLAJQHTOKE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Naphthalenes</class>
    <sub_class>Naphthols and derivatives</sub_class>
    <direct_parent>Naphthols and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>1-hydroxy-4-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>1-hydroxy-4-unsubstituted benzenoid</substituent>
      <substituent>1-naphthol</substituent>
      <substituent>Aromatic homopolycyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aromatic homopolycyclic compounds</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>1.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.96</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.84</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.31e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>9.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-5.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>naphthalene-1,5-diol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>160.172</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>160.052429498</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC1=CC=CC2=C1C=CC=C2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H8O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BOKGTLAJQHTOKE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>40.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>46.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>16.35</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6749</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6492</chemspider_id>
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</compound>
