284158 <common-name>3-(2-bromo-6-prop-2-enylphenoxy)propane-1,2-diol</common-name> <description>3-(2-bromo-6-prop-2-enylphenoxy)propane-1,2-diol belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C12H15BrO3 and an average molecular weight of 287.15 g/mol.</description> <cas>63905-18-0</cas> <pubchem-id>3048388</pubchem-id> <chemical-formula>C12H15BrO3</chemical-formula> <weight>287.15</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">2026-08-27T19:46:35Z</created-at> <updated-at type="dateTime">2026-08-27T19:46:35Z</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>C=CCC1=C(C(=CC=C1)Br)OCC(CO)O</moldb-smiles> <moldb-formula>C12H15BrO3</moldb-formula> <moldb-inchi>InChI=1S/C12H15BrO3/c1-2-4-9-5-3-6-11(13)12(9)16-8-10(15)7-14/h2-3,5-6,10,14-15H,1,4,7-8H2</moldb-inchi> <moldb-inchikey>ITDDTOSAIBLWDV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">286.02046</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM280051</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>3-(2-bromo-6-prop-2-enylphenoxy)propane-1,2-diol</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>CED0236053</sync-id> <structure-inchikey>ITDDTOSAIBLWDV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000040000080000000020000000000000000000000000210000000000000000000000000040000000000000000000000000000000000002000000000020000000000000000000000010000000020000000030000000080400000000000a000010000004000000000000000000000000008000000000000000000000001000000000000800000000000000000000000000000000000000040000000000000000000000004000200080000000000000000080000000000000000000000000000000000040000000100840000000000000000000000000200000000000000000000000000000040000800000000000000000000400000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBoAAAAAwICBgBoAAAA AwMBBgBgAAAAAgIGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEjACAAAAABCAAoAAAAAwIGAGAAAAACAgYAYAAA AAMBBgBgAAAAAgIIAGAAAAABAQgAYAAAAAEBCwABCAIBAgACAwADBGgMBAVo DAUGaAwGB2gMBwhoDAUJAAQKIAoLAAsMAAwNAA0OAAwPAAgDaAxCAQAAAAYD CAcGBQQXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:32Z</structure-indexed-at> </compound>