280923 <common-name>2-hydroxy-2-(4-propan-2-yloxyphenyl)acetonitrile</common-name> <description>2-hydroxy-2-(4-propan-2-yloxyphenyl)acetonitrile belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C11H13NO2 and an average molecular weight of 191.23 g/mol.</description> <cas>1179096-18-4</cas> <pubchem-id>60916269</pubchem-id> <chemical-formula>C11H13NO2</chemical-formula> <weight>191.23</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">2026-08-26T20:53:19Z</created-at> <updated-at type="dateTime">2026-08-26T20:53:19Z</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)OC1=CC=C(C=C1)C(C#N)O</moldb-smiles> <moldb-formula>C11H13NO2</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,1-2H3</moldb-inchi> <moldb-inchikey>DOCIJUMCSDAALE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">191.0946287</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM276816</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-hydroxy-2-(4-propan-2-yloxyphenyl)acetonitrile</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>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0232929</sync-id> <structure-inchikey>DOCIJUMCSDAALE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000020000000000200000000000000000000000000000100000000000001020000000200000000000000000000000000000000000000000000000000000000010000000000000000000000000008020000100000200000000000000000200010000000000000000000000000000000000000000800000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000440088000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000200000000000000000000000004000040000000000000000000000000200000004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAwEGACgAAAACBAcAKAAA AAIDCABgAAAAAQELAAEAAQIAAQMAAwQgBAVoDAUGaAwGB2gMBwhoDAgJaAwH CgAKCwALDAgDCg0ACQRoDEIBAAAABgQJCAcGBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:05Z</structure-indexed-at> </compound>