69829 <common-name>Benzene, 1-methyl-4-phenoxy-</common-name> <description nil="true"/> <cas>1706-12-3</cas> <pubchem-id>74351</pubchem-id> <chemical-formula>C13H12O1</chemical-formula> <weight>184.23</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">2026-04-03T15:50:31Z</created-at> <updated-at type="dateTime">2026-08-18T23:08:58Z</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=CC=C(OC2=CC=CC=C2)C=C1</moldb-smiles> <moldb-formula>C13H12O1</moldb-formula> <moldb-inchi>InChI=1S/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3</moldb-inchi> <moldb-inchikey>SSTNIXFHCIOCJI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">184.238</moldb-average-mass> <moldb-mono-mass type="decimal">184.088815</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66946</chemspider-id> <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>CHEM065722</chemdb-id> <dsstox-id>DTXSID3061891</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025594</susdat-id> <iupac>1-methyl-4-phenoxybenzene</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>Diphenylethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0164553</sync-id> <structure-inchikey>SSTNIXFHCIOCJI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000001000000000000000000000200000000000000004000000000000000000000000000000000000000000200000000000000000000000000000000100000200000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000800000000000000000000000000100000000000008000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000400000000000000000000000002000000200000000000000000100000000000040000000000080000000000000000000000000000000</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�B������ ������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:31Z</structure-indexed-at> </compound>