<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">103361</id>
  <title nil="true"/>
  <common-name>BP Alcohol</common-name>
  <description>BP Alcohol belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula $\text{C}_{14}\text{H}_{14}\text{O}$ and an average molecular weight of 198.26 g/mol.</description>
  <cas>76350-90-8</cas>
  <pubchem-id>596875</pubchem-id>
  <chemical-formula>C14H14O</chemical-formula>
  <weight>198.26</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">2026-04-05T10:27:40Z</created-at>
  <updated-at type="dateTime">2026-08-19T05:27:20Z</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>CC1=C(C=CC=C1CO)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C14H14O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3</moldb-inchi>
  <moldb-inchikey>BGTLHJPGBIVQLJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">198.265</moldb-average-mass>
  <moldb-mono-mass type="decimal">198.1044651</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM099254</chemdb-id>
  <dsstox-id>DTXSID3074101</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00067153</susdat-id>
  <iupac>(2-methyl-3-phenylphenyl)methanol</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>Biphenyls and derivatives</subklass>
  <paper-count type="integer">421973</paper-count>
  <sync-id>CED0000503</sync-id>
  <structure-inchikey>BGTLHJPGBIVQLJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000800000000000000000000000000000000002000000080000000000000000000000008000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000010000000400000000000000000000000000000000000080000000000001000040000000800000000000000000800000000100000000000000000000000000000000000004000000080000000000000000000000000000000000000000000020040000040000000000000000040000000000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</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��������	 	
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  <structure-indexed-at type="dateTime">2026-09-19T04:40:55Z</structure-indexed-at>
</compound>
