81529 <common-name>2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid</common-name> <description>2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid belongs to the phenylpropanoic acids, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C15H20O3 and an average molecular weight of 248.32 g/mol.</description> <cas>371753-19-4</cas> <pubchem-id>13148395</pubchem-id> <chemical-formula>C15H20O3</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">2026-04-04T18:16:42Z</created-at> <updated-at type="dateTime">2026-04-04T18:16:42Z</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(O)=O)C1=CC=C(C[C@H]2CCC[C@@H]2O)C=C1</moldb-smiles> <moldb-formula>C15H20O3</moldb-formula> <moldb-inchi>InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)</moldb-inchi> <moldb-inchikey>SHAHPWSYJFYMRX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.322</moldb-average-mass> <moldb-mono-mass type="decimal">248.141245</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM077422</chemdb-id> <dsstox-id>DTXSID50522065</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040751</susdat-id> <iupac>2-[4-[(2-hydroxycyclopentyl)methyl]phenyl]propanoic acid</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>Phenylpropanoids and polyketides</superklass> <klass>Phenylpropanoic acids</klass> <subklass nil="true"/> <paper-count type="integer">1</paper-count> <sync-id>CED0063499</sync-id> <structure-inchikey>SHAHPWSYJFYMRX-ADSMYIAOSA-N</structure-inchikey> <structure-fingerprint>44000000000000000000800000000000000000000000000000000000200004000000001000000200000000000000000004000000000000000020000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000400000000000080000420000000000000000000000100800400041000000000000000000002000080000000000000000000000400000000000000004000000000400080000000000000000008000000000000000000000000000000000000000000000080000000000000000000000000220000000000000000000000804000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������h��������(������@(������@h�������@h�������@(�������`������ 4��������`�������`�������`������ 4��������`������@h�������@h��������������� ��(������h���h���h�� � � ������ � �������h���h���h�� �B������������� � �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:28:08Z</structure-indexed-at> </compound>