67689 <common-name>3-(4-Methoxyphenyl)propan-1-ol</common-name> <description>3-(4-Methoxyphenyl)propan-1-ol is an organic compound with the formula C10H14O2 and an average molecular weight of 166.22 g/mol. 3-(4-Methoxyphenyl)propan-1-ol belongs to the anisoles, a subclass of phenol ethers within the organic compounds. This benzenoid compound is utilized industrially as a nutrient and a flavouring agent.</description> <cas>5406-18-8</cas> <pubchem-id>79406</pubchem-id> <chemical-formula>C10H14O2</chemical-formula> <weight>166.22</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">2026-04-03T10:23:21Z</created-at> <updated-at type="dateTime">2026-08-18T01:06:41Z</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>COC1=CC=C(CCCO)C=C1</moldb-smiles> <moldb-formula>C10H14O2</moldb-formula> <moldb-inchi>InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3</moldb-inchi> <moldb-inchikey>NIIDHUCLROLCBU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">166.22</moldb-average-mass> <moldb-mono-mass type="decimal">166.09938</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>71725</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>CHEM063582</chemdb-id> <dsstox-id>DTXSID20202382</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022337</susdat-id> <iupac>3-(4-methoxyphenyl)propan-1-ol</iupac> <moldb-polar-surface-area>29.46</moldb-polar-surface-area> <moldb-refractivity>48.69310000000001</moldb-refractivity> <moldb-polarizability>18.974658071925827</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.963385487125802</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.377415187931174</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.06</moldb-alogps-logp> <moldb-alogps-logs>-2.14</moldb-alogps-logs> <moldb-alogps-solubility>1.21e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer">11</paper-count> <sync-id>CED0034613</sync-id> <structure-inchikey>NIIDHUCLROLCBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002000000000000000000000200200000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000100000200000000000000060000010000010040000000000000000000000000000000002000000000000000040040000000000000000020000000000000000000000000001000000000000000000000000000000000080000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGAGAAAAACAgYA YAAAAAICBgBgAAAAAgIIAGAAAAABAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQAB AiACA2gMAwRoDAQFaAwFBgAGBwAHCAAICQAFCmgMCgtoDAsCaAxCAQAAAAYC CwoFBAMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:49Z</structure-indexed-at> </compound>