99589 <common-name>3,6-Bis(1-phenylethyl)-o-xylene</common-name> <description>3,6-Bis(1-phenylethyl)-o-xylene belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C24H26 and an average molecular weight of 314.47 g/mol.</description> <cas>68678-76-2</cas> <pubchem-id>3017875</pubchem-id> <chemical-formula>C24H26</chemical-formula> <weight nil="true"/> <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">2026-04-05T06:58:29Z</created-at> <updated-at type="dateTime">2026-04-05T06:58:29Z</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>CC(C1=CC=CC=C1)C1=CC=C(C(C)C2=CC=CC=C2)C(C)=C1C</moldb-smiles> <moldb-formula>C24H26</moldb-formula> <moldb-inchi>InChI=1/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3</moldb-inchi> <moldb-inchikey>KCPQNKJBLIGNBN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">314.472</moldb-average-mass> <moldb-mono-mass type="decimal">314.2034508</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM095482</chemdb-id> <dsstox-id>DTXSID90988363</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062456</susdat-id> <iupac nil="true"/> <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>Diphenylmethanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0073923</sync-id> <structure-inchikey>KCPQNKJBLIGNBN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000400080000001000000000000000000200000004000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000041000000040000000000000000000000000000000000000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000000000000400080000000000000000000000000000000000000000000000000400000000000000000000000000000000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</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���h���h���h���h����� h� h� �h����� ������h���h���h���h���h���h������h������h���h���h�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:49Z</structure-indexed-at> </compound>