284675 <common-name>2-(2-tert-butylphenyl)acetic acid</common-name> <description>2-(2-tert-butylphenyl)acetic acid belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H16O2 and an average molecular weight of 192.25 g/mol.</description> <cas>27749-40-2</cas> <pubchem-id>119711</pubchem-id> <chemical-formula>C12H16O2</chemical-formula> <weight>192.25</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">2026-08-27T20:18:51Z</created-at> <updated-at type="dateTime">2026-08-27T20:18:51Z</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)C1=CC=CC=C1CC(=O)O</moldb-smiles> <moldb-formula>C12H16O2</moldb-formula> <moldb-inchi>InChI=1S/C12H16O2/c1-12(2,3)10-7-5-4-6-9(10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)</moldb-inchi> <moldb-inchikey>POMSYACWYMCETR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">192.1150297</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM280568</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>2-(2-tert-butylphenyl)acetic 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>CED0236536</sync-id> <structure-inchikey>POMSYACWYMCETR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000800000002000000000000000000000000000000000000000000000000000040000000000000004800000100000000000000000000000000000000400000000000000000000000020000000000000000000000000000000000000010000000000000000000000000030000000000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000001004000000080000000100000000000000000000000000000000000000000000040000000000000000002000000000000000400200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGAGAAAAACAgYAKAAAAAMECAAoAAAA AwIIAGgAAAADAQELAAEAAQIAAQMAAQQABAVoDAUGaAwGB2gMBwhoDAgJaAwJ CgAKCwALDCgCCw0gCQRoDEIBAAAABgQJCAcGBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:53Z</structure-indexed-at> </compound>