54705803 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 8 8 7 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 2 3 3 3 4 4 5 5 5 7 8 9 9 9 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 7 37 6 4 6 10 8 11 6 7 9 8 23 12 24 25 13 14 15 16 26 27 28 17 29 18 30 19 31 20 32 21 33 21 34 22 35 22 36 38 39 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 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 32 33 34 35 36 37 38 39 5.4641 7.1962 5.4641 4.5981 6.3301 6.3301 5.4641 4.5981 7.1962 5.4641 3.732 7.1962 4.5981 6.3301 2.866 3.732 4.5981 6.3301 2 2.866 5.4641 2 4.0611 7.4082 7.8067 7.8162 7.1962 6.5762 4.0611 6.8671 2.866 4.269 4.0611 6.8671 1.4631 2.866 4.9272 5.4641 1.4631 2.845 -0.155 -0.155 0.345 1.345 0.345 1.845 1.345 1.845 -1.155 -0.155 2.845 -1.655 -1.655 0.345 -1.155 -2.655 -2.655 -0.155 -1.655 -3.155 -1.155 1.655 1.2624 1.9527 2.845 3.465 2.845 -1.345 -1.345 0.965 -1.465 -2.965 -2.965 0.155 -2.275 3.155 -3.775 -1.465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 7 10 10 11 11 13 14 15 16 17 18 19 20 4 6 8 6 7 8 13 14 15 16 17 18 19 20 21 21 22 22 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 480 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000306080000000000000014000001E00000800000C0C81980032C0830002008802255250008200002122000888010064C8082432C09191843008608400C8D9071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-hydroxy-1,6-diphenyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-hydroxy-1,6-diphenyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-oxidanyl-1,6-diphenyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-ethyl-4-hydroxy-1,6-diphenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17NO2/c1-2-16-18(21)13-17(14-9-5-3-6-10-14)20(19(16)22)15-11-7-4-8-12-15/h3-13,21H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WQVQEEZYODFNGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.125928785 22 0 0 0 0 0 0 0 1 -1