72376 <common-name>2,4,6-Tris(1-methyl-1-phenylethyl)phenol</common-name> <description>2,4,6-Tris(1-methyl-1-phenylethyl)phenol belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. This compound has the formula C33H36O1 and an average molecular weight of 448.65 g/mol. It is further classified under the superclass of phenylpropanoids and polyketides.</description> <cas>30748-85-7</cas> <pubchem-id>634812</pubchem-id> <chemical-formula>C33H36O1</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">2026-04-03T21:45:56Z</created-at> <updated-at type="dateTime">2026-04-03T21:45:56Z</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)(C1=CC=CC=C1)C1=CC(=C(O)C(=C1)C(C)(C)C1=CC=CC=C1)C(C)(C)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C33H36O1</moldb-formula> <moldb-inchi>InChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3</moldb-inchi> <moldb-inchikey>CEHYZIXIKLSACQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">448.65</moldb-average-mass> <moldb-mono-mass type="decimal">448.276616</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>551024</chemspider-id> <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>CHEM068269</chemdb-id> <dsstox-id>DTXSID00184773</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028962</susdat-id> <iupac>2,4,6-tris(2-phenylpropan-2-yl)phenol</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>Diarylheptanoids</klass> <subklass>Linear diarylheptanoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0158478</sync-id> <structure-inchikey>CEHYZIXIKLSACQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>820000000000000000000000002000000000000000000000200000000000000000000000000000000000000000000004800000100000000000000000000020000000000000000000000000000080000000000001004000000000000000000000000100010000000000000000100000000000000000000000000000000000000000000040000800800000000000000000000000000100000000000000000000000000000000000000000000080000000040000000000000000000000000000000000000000000002000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000040000000</structure-fingerprint> 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