70699875 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 9 10 11 12 12 13 14 14 14 15 15 16 17 17 17 13 18 31 18 5 7 8 9 13 10 11 14 10 19 11 20 12 21 22 23 15 17 16 18 24 25 16 26 27 28 29 30 1 1 1 2 1 2 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 4.5981 2.866 4.5981 2.866 3.732 3.732 2.866 5.4641 4.5981 5.135 2.3291 5.135 5.135 2.3291 3.52 3.1215 3.732 2.3291 5.1541 6.001 5.7741 5.135 -1.905 3.595 2.095 -0.905 -1.905 1.095 -0.405 -0.405 -2.405 0.595 0.595 -3.405 -2.405 2.095 -3.905 -3.405 -3.905 2.595 -0.715 -0.715 -2.095 0.905 0.905 2.6776 1.9873 -4.525 -3.715 -4.4419 -4.215 -3.3681 3.905 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 12 13 15 7 8 9 13 10 11 10 11 12 15 16 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 00000371C0703100000000000000000000000000000000000000306000000000000000014000001B00000800000C00809808320880000200880220D2080002000020000008880100008808203280151080600024C00108880788C8E08EC0000200000000008000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoro-5-methyl-phenyl)phenyl]acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoro-5-methylphenyl)phenyl]acetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoro-5-methylphenyl)phenyl]acetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoro-5-methylphenyl)phenyl]acetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoranyl-5-methyl-phenyl)phenyl]ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-fluoro-5-methyl-phenyl)phenyl]acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H13FO2/c1-10-2-7-14(16)13(8-10)12-5-3-11(4-6-12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VUMXAADANLEPKA-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=CC(=C(C=C1)F)C2=CC=C(C=C2)CC(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C=C1)F)C2=CC=C(C=C2)CC(=O)O 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