337058 <common-name>4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid</common-name> <description>4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid is a compound with the formula C23H30O4. It has an average molecular weight of 370.50 g/mol.</description> <cas>102590-02-3</cas> <pubchem-id>289391</pubchem-id> <chemical-formula>C23H30O4</chemical-formula> <weight>370.5</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">2026-08-30T19:45:53Z</created-at> <updated-at type="dateTime">2026-08-30T19:45:53Z</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(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)O</moldb-smiles> <moldb-formula>C23H30O4</moldb-formula> <moldb-inchi>InChI=1S/C23H30O4/c1-22(2,3)16-23(4,5)18-8-12-20(13-9-18)27-15-14-26-19-10-6-17(7-11-19)21(24)25/h6-13H,14-16H2,1-5H3,(H,24,25)</moldb-inchi> <moldb-inchikey>OGNYKSZIFQUMPV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">370.2144094</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.5</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>CHEM332951</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>4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid</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>Phenylpropanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287506</sync-id> <structure-inchikey>OGNYKSZIFQUMPV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800002202000000000000000000000000000000000000000000000000000200000020000000004800000000000000080000000000000000000000000000000000000000002000020000008000100000200040000000000000000010000000000000000000000000000000000000000000000040000000020000040000000000000000000200000000000000000000000000000000000000000000000000000000000084000000040000000080000000000000000000000000000000000200000000000000000400000004020400000000200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHAAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwYAYAAAAAICBgAgAAAABAYAYAAAAAEDBgBgAAAA AQMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICCAAoAAAAAwIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQsAAQABAgABAwABBAAEBQAF BgAFBwAFCAAICWgMCQpoDAoLaAwLDGgMDA1oDAsOIA4PAA8QABARABESIBIT aAwTFGgMFBVoDBUWaAwWF2gMFRggGBkoAhgaIA0IaAwXEmgMQgIAAAAGCA0M CwoJBhMUFRYXEhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:17Z</structure-indexed-at> </compound>