332227 <common-name>Ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate</common-name> <description>Ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate is a chemical compound with the formula C22H27ClO3. It has an average molecular weight of 374.90 g/mol.</description> <cas>71548-65-7</cas> <pubchem-id>51338</pubchem-id> <chemical-formula>C22H27ClO3</chemical-formula> <weight>374.9</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">2026-08-30T13:22:58Z</created-at> <updated-at type="dateTime">2026-08-30T13:22:58Z</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>CCCCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl</moldb-smiles> <moldb-formula>C22H27ClO3</moldb-formula> <moldb-inchi>InChI=1S/C22H27ClO3/c1-4-6-15-22(3,21(24)25-5-2)26-20-13-9-18(10-14-20)16-17-7-11-19(23)12-8-17/h7-14H,4-6,15-16H2,1-3H3</moldb-inchi> <moldb-inchikey>URKWPFOAXJPSNZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">374.1648724</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.7</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>CHEM328120</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate</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>Diphenylmethanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282747</sync-id> <structure-inchikey>URKWPFOAXJPSNZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200800000002000000010000000004000000080000000000000000002000204200000000000000000800000000000000000000000000000000000000800400000010000000000000020000000000100000200000000000000000020010080000000000000000000000000000000000000000000000000000000000041020000000000000000000000000000000000000000020040000000000000080000000000000000080000000000020000000000000000000000000000000000000000000000000000000000000010004000002000000220000000000000000000001000000040000000011400000000000000000000000000800000</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�B���������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:30Z</structure-indexed-at> </compound>