91753 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 33 34 35 36 37 38 39 40 41 42 43 8 8 8 7 6 6 6 6 6 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 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 6 8 5 12 11 15 12 20 6 7 25 26 27 28 29 30 9 10 13 31 14 32 13 14 16 33 34 17 18 19 35 22 36 23 37 21 38 21 39 40 24 41 24 42 43 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 5 2 6 7 25 3 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 33 34 35 36 37 38 39 40 41 42 43 4.5981 2.866 4.5981 3.732 3.732 3.732 4.5981 4.5981 5.4641 3.732 4.5981 2.866 5.4641 3.732 5.4641 2 6.3301 5.4641 2 3.732 2.866 7.1962 6.3301 7.1962 3.732 3.52 3.1215 4.2881 5.135 4.9081 6.001 3.1951 6.001 3.1951 1.4631 6.3301 4.9272 1.4631 4.269 2.866 7.7331 6.3301 7.7331 -0.5 -2.5 3.5 -4 -2 -1 -2.5 0.5 1 1 2.5 -3.5 2 2 4 -4 3.5 5 -5 -5 -5.5 4 5.5 5 -2.62 -0.4174 -1.1077 -3.0369 -2.81 -1.9631 0.69 0.69 2.31 2.31 -3.69 2.88 5.31 -5.31 -5.31 -6.12 3.69 6.12 5.31 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 8 8 9 10 11 11 12 15 15 16 17 18 19 20 22 23 12 20 7 9 10 13 14 13 14 16 17 18 19 22 23 21 21 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000000000000003C608000000000000001D000001E00000000000814E192063E8692081400A0003067440082882031222008D8203E6C980D26E2C4B19B8E3828E4C011CAE807D050000001000000000000000200000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NHDHVHZZCFYRSB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.13649347 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H19NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.13649347 24 1 0 1 0 0 0 0 1 -1