79038 <common-name>2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol</common-name> <description>2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol belongs to the depsides and depsidones, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C27H30O3 and an average molecular weight of 402.53 g/mol.</description> <cas>74728-03-3</cas> <pubchem-id>44152464</pubchem-id> <chemical-formula>C27H30O3</chemical-formula> <weight nil="true"/> <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">2026-04-04T13:38:37Z</created-at> <updated-at type="dateTime">2026-04-04T13:38:37Z</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(OC(=O)C2=CC=CC=C2)C(CC(C)(C)C2=CC(C)=CC(C)=C2O)=C1</moldb-smiles> <moldb-formula>C27H30O3</moldb-formula> <moldb-inchi>InChI=1S/C27H30O3/c1-17-13-20(4)25(30-26(29)21-10-8-7-9-11-21)22(14-17)16-27(5,6)23-15-18(2)12-19(3)24(23)28/h7-15,28H,16H2,1-6H3</moldb-inchi> <moldb-inchikey>AUDGCQQBJPBZHD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">402.534</moldb-average-mass> <moldb-mono-mass type="decimal">402.219495</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM074931</chemdb-id> <dsstox-id>DTXSID40225710</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037654</susdat-id> <iupac>[2-[2-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenyl] 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">0</paper-count> <sync-id>CED0161338</sync-id> <structure-inchikey>AUDGCQQBJPBZHD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8100000010000000000800000002000000040000000000000280800000000000000000000000000000400000000000084810000180000000000000000000000000000000000000000000002000000000020000000000100000100000000400000000000010000000000000000100080000000000000000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000000004000020084100000000000000000000000000000000000000000000000000202000000000400000000000000000002040000200000020000000000100000000000040000000000400000000400000004000000000000000</structure-fingerprint> 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