69304 <common-name>4-Benzyloxybenzoic acid</common-name> <description>4-Benzyloxybenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C14H12O3 and an average molecular weight of 228.25 g/mol.</description> <cas>1486-51-7</cas> <pubchem-id>73880</pubchem-id> <chemical-formula>C14H12O3</chemical-formula> <weight>228.24</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">2026-04-03T14:50:03Z</created-at> <updated-at type="dateTime">2026-08-19T04:52:43Z</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>OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1</moldb-smiles> <moldb-formula>C14H12O3</moldb-formula> <moldb-inchi>InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)</moldb-inchi> <moldb-inchikey>AQSCHALQLXXKKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">228.247</moldb-average-mass> <moldb-mono-mass type="decimal">228.078644</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66514</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>CHEM065197</chemdb-id> <dsstox-id>DTXSID00164030</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024869</susdat-id> <iupac>4-phenylmethoxybenzoic acid</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>64.39000000000001</moldb-refractivity> <moldb-polarizability>24.22220643508742</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.356331137890398</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.883607279424574</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.94</moldb-alogps-logp> <moldb-alogps-logs>-3.54</moldb-alogps-logs> <moldb-alogps-solubility>6.63e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">18</paper-count> <sync-id>CED0030782</sync-id> <structure-inchikey>AQSCHALQLXXKKC-UHFFFAOYSA-N</structure-inchikey> 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</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:05Z</structure-indexed-at> </compound>