68662 <common-name>3-Phenylpropyl phenylacetate</common-name> <description>3-Phenylpropyl phenylacetate belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C17H18O2 and an average molecular weight of 254.33 g/mol.</description> <cas>122-44-1</cas> <pubchem-id>67148</pubchem-id> <chemical-formula>C17H18O2</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">2026-04-03T12:53:57Z</created-at> <updated-at type="dateTime">2026-04-03T12:53:57Z</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>O=C(CC1=CC=CC=C1)OCCCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C17H18O2</moldb-formula> <moldb-inchi>InChI=1S/C17H18O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2</moldb-inchi> <moldb-inchikey>KBXZBPLAQDTVAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">254.329</moldb-average-mass> <moldb-mono-mass type="decimal">254.13068</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60493</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>CHEM064555</chemdb-id> <dsstox-id>DTXSID30153457</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023989</susdat-id> <iupac>3-phenylpropyl 2-phenylacetate</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>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">74</paper-count> <sync-id>CED0020905</sync-id> <structure-inchikey>KBXZBPLAQDTVAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000010800000000000000000000000000000000000000000040000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000010000000000000000000000000040000000000000002000000100000020040000200000800000000000000000000000000100000000001000000000000000000000002000000000082000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000220000000000000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABCAAoAAAAAwIGACgAAAAD BAYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBCwABKAIBAgACAwADBGgMBAVoDAUGaAwGB2gMBwhoDAEJ IAkKAAoLAAsMAAwNAA0OaAwOD2gMDxBoDBARaAwREmgMCANoDBINaAxCAgAA AAYEBQYHCAMGDg8QERINFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:32Z</structure-indexed-at> </compound>