70699803 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 9 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 4 4 4 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 13 14 14 14 16 17 17 17 15 18 31 18 5 7 8 11 12 9 10 14 9 19 10 20 21 22 15 23 16 24 15 16 17 18 25 26 27 28 29 30 1 1 1 2 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 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 2 4.5981 5.4641 3.732 3.732 3.732 4.5981 2.866 4.5981 2.866 2.866 4.5981 3.732 3.732 2.866 4.5981 3.732 4.5981 5.135 2.3291 5.135 2.3291 2.3291 5.135 3.52 3.1215 5.135 3.112 3.732 4.352 5.135 -3.405 4.095 2.595 -0.405 -1.405 1.595 0.095 0.095 1.095 1.095 -1.905 -1.905 -3.405 2.595 -2.905 -2.905 -4.405 3.095 -0.215 -0.215 1.405 1.405 -1.595 -1.595 3.1776 2.4873 -3.215 -4.405 -5.025 -4.405 4.405 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 11 12 13 13 7 8 11 12 9 10 9 10 15 16 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 284 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703100000000000000000000000000000000000000306000000000000000014000001B00000800000C00809808320880000200880220D2080002000020000008880100008808203280151080600024C00108880788C8E08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoro-4-methyl-phenyl)phenyl]acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoro-4-methylphenyl)phenyl]acetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoro-4-methylphenyl)phenyl]acetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoro-4-methylphenyl)phenyl]acetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoranyl-4-methyl-phenyl)phenyl]ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(3-fluoro-4-methyl-phenyl)phenyl]acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H13FO2/c1-10-2-5-13(9-14(10)16)12-6-3-11(4-7-12)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JLIYQKWGCTXJFB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.08995782 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H13FO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.08995782 18 0 0 0 0 0 0 0 1 -1