2367376 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 9 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 8 8 9 9 9 10 10 11 11 12 12 13 15 15 16 16 17 17 18 18 19 7 6 14 9 12 14 6 7 8 20 21 10 11 22 14 23 24 13 25 13 26 15 16 27 17 28 18 29 19 30 19 31 32 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 2 4.5981 5.4641 3.732 3.732 3.732 2.866 4.5981 5.4641 2.866 4.5981 6.3301 3.732 4.5981 7.1962 6.3301 8.0622 7.1962 8.0622 3.52 3.1215 5.135 5.6762 6.0747 2.3291 5.135 3.732 7.1962 5.7932 8.5991 7.1962 8.5991 -2 -0.5 2 1 -2 -1 -2.5 -2.5 1 -3.5 -3.5 2.5 -4 0.5 2 3.5 2.5 4 3.5 -0.4174 -1.1077 -2.19 0.4174 1.1077 -3.81 -3.81 -4.62 1.38 3.81 2.19 4.62 3.81 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 10 11 12 12 15 16 17 18 7 8 10 11 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 277 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703100000000000000000000000000000000000000306000000000000000014000001B00000000000C04A0980A300E80000400880220D208020208002020000888004608880D262284311E823820A4C0110AA80780C0200E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-fluorophenyl)methyl 2-phenoxyacetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenoxyacetic acid (2-fluorophenyl)methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-fluorophenyl)methyl 2-phenoxyacetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-fluorophenyl)methyl 2-phenoxyacetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-fluorophenyl)methyl 2-phenoxyethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenoxyacetic acid (2-fluorobenzyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H13FO3/c16-14-9-5-4-6-12(14)10-19-15(17)11-18-13-7-2-1-3-8-13/h1-9H,10-11H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OPHDKDMFRLVSAN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.08487243 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H13FO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)OCC(=O)OCC2=CC=CC=C2F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)OCC(=O)OCC2=CC=CC=C2F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 35.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.08487243 19 0 0 0 0 0 0 0 1 -1