54715992 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 44 45 46 47 48 49 8 8 7 6 6 6 6 6 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 1 1 2 3 3 3 4 4 5 5 5 7 7 7 8 8 9 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 27 27 28 9 45 6 4 6 11 8 10 6 7 9 13 29 30 12 14 10 31 15 16 17 18 19 20 21 32 23 33 24 34 22 35 36 37 38 26 39 27 40 22 41 42 25 43 25 44 46 28 47 28 48 49 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 5.4641 7.1962 5.4641 4.5981 6.3301 6.3301 7.1962 3.732 5.4641 4.5981 5.4641 2.866 7.1962 3.732 4.5981 6.3301 2 2.866 8.0622 6.3301 2.866 2 4.5981 6.3301 5.4641 8.0622 6.3301 7.1962 7.4082 7.8067 4.0611 4.269 4.0611 6.8671 1.4631 3.486 2.866 2.246 8.5991 5.7932 2.866 1.4631 4.0611 6.8671 4.9272 5.4641 8.5991 5.7932 7.1962 2 -1 -1 -0.5 0.5 -0.5 1 -1 1 0.5 -2 -0.5 2 -2 -2.5 -2.5 -1 0.5 2.5 2.5 -2.5 -2 -3.5 -3.5 -4 3.5 3.5 4 0.4174 1.1077 0.81 -2.31 -2.19 -2.19 -0.69 0.5 1.12 0.5 2.19 2.19 -3.12 -2.31 -3.81 -3.81 2.31 -4.62 3.81 3.81 4.62 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 8 8 9 11 11 12 13 13 14 15 16 17 19 20 21 23 24 26 27 4 6 10 6 9 12 14 10 15 16 17 19 20 21 23 24 22 26 27 22 25 25 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 623 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A30000000000000000000000000000000000000003060C1000000000000015000001E00000800000C0C81980032C0830002008802255250008200002122000888010064C8082432C09191843008608400C8D9071888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-hydroxy-6-(o-tolyl)-1-phenyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-(2-methylphenyl)-1-phenyl-3-(phenylmethyl)-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-hydroxy-6-(2-methylphenyl)-1-phenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-hydroxy-6-(2-methylphenyl)-1-phenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-methylphenyl)-4-oxidanyl-1-phenyl-3-(phenylmethyl)pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-benzyl-4-hydroxy-6-(o-tolyl)-1-phenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C25H21NO2/c1-18-10-8-9-15-21(18)23-17-24(27)22(16-19-11-4-2-5-12-19)25(28)26(23)20-13-6-3-7-14-20/h2-15,17,27H,16H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XCBOGTZRQJLRPJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C25H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1C2=CC(=C(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1C2=CC(=C(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4)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 2021.05.07 367.157228913 28 0 0 0 0 0 0 0 1 -1