328470 <common-name>[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] benzoate</common-name> <description>[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] benzoate is a chemical compound with the formula C21H27NO3. It has an average molecular weight of 341.40 g/mol.</description> <cas nil="true"/> <pubchem-id>52433</pubchem-id> <chemical-formula>C21H27NO3</chemical-formula> <weight>341.4</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">2026-08-30T08:21:27Z</created-at> <updated-at type="dateTime">2026-08-30T08:21:27Z</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(C=C1OC(=O)C2=CC=CC=C2)C(C)C)OCCN(C)C</moldb-smiles> <moldb-formula>C21H27NO3</moldb-formula> <moldb-inchi>InChI=1S/C21H27NO3/c1-15(2)18-14-19(25-21(23)17-9-7-6-8-10-17)16(3)13-20(18)24-12-11-22(4)5/h6-10,13-15H,11-12H2,1-5H3</moldb-inchi> <moldb-inchikey>COMSPRHLOPDHLM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">341.1990937</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM324363</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-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] benzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0279062</sync-id> <structure-inchikey>COMSPRHLOPDHLM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000001000800000000040000040000000000000000800000400000000001000000200000000000000000004000000020000000000000000000000000080000000000000000202000000000028100000000500000000000000000000000000010000000000000000104000000000000000000000000000000000000000000040000000800000000000000000100000000100000000000000000000000020000000000000000000084100000000000000080000000000000002000000000000000000000000000000000000000000000000002840000200000000000000000000010000000040000000000400000001000820004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAgA KAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAwEGAGAAAAAB AwYAYAAAAAEDCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAA AAEDBgBgAAAAAQMLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGByAHCCAICSgC CAogCgtoDAsMaAwMDWgMDQ5oDA4PaAwEEAAQEQAQEgADEyATFAAUFQAVFgAW FwAWGAAGAWgMDwpoDEICAAAABgEGBQQDAgYLDA0ODwoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:33Z</structure-indexed-at> </compound>