54705704 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 50 51 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 1 1 1 1 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 4 5 5 5 6 7 7 7 9 9 9 11 11 11 12 12 13 13 13 14 14 15 15 15 16 16 17 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 8 45 10 6 10 14 7 8 10 6 8 11 12 9 27 28 13 29 30 15 31 32 16 17 18 33 34 19 20 35 36 37 21 38 22 39 40 41 42 23 43 24 44 25 46 25 47 26 48 26 49 50 51 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 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 40 41 42 43 44 45 46 47 48 49 50 51 5.4641 7.1962 5.4641 6.3301 4.5981 4.5981 7.1962 5.4641 7.1962 6.3301 3.732 3.732 8.0622 5.4641 3.732 2.866 3.732 8.0622 4.5981 6.3301 2 2.866 4.5981 6.3301 2 5.4641 7.4082 7.8067 6.9841 6.5856 3.1215 3.52 8.2742 8.6728 4.352 3.732 3.112 2.866 4.269 8.6822 8.0622 7.4422 4.0611 6.8671 6.001 1.4631 2.866 4.0611 6.8671 1.4631 5.4641 2.25 -0.75 -0.75 0.75 0.75 -0.25 1.25 1.25 2.25 -0.25 1.25 -0.75 2.75 -1.75 2.25 -0.25 -1.75 3.75 -2.25 -2.25 -0.75 -2.25 -3.25 -3.25 -1.75 -3.75 0.6674 1.3577 2.8326 2.1423 1.3577 0.6674 2.1674 2.8577 2.25 2.87 2.25 0.37 -2.06 3.75 4.37 3.75 -1.94 -1.94 2.56 -0.44 -2.87 -3.56 -3.56 -2.06 -4.37 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 12 12 14 14 16 17 19 20 21 22 23 24 6 10 8 10 6 8 16 17 19 20 21 22 23 24 25 25 26 26 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 563 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000306080000000000000014000001E00000800000C0C81980032C0830002008802255250008200002122000888010064C8082432C09191847008648400C8D9071888000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-5-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-butyl-5-ethyl-4-hydroxy-1,6-diphenyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-5-ethyl-4-oxidanyl-1,6-diphenyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-5-ethyl-4-hydroxy-1,6-diphenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H25NO2/c1-3-5-16-20-22(25)19(4-2)21(17-12-8-6-9-13-17)24(23(20)26)18-14-10-7-11-15-18/h6-15,25H,3-5,16H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LTFBJORVMHRTIP-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 2021.05.07 347.188529040 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H25NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC)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 2021.05.07 347.188529040 26 0 0 0 0 0 0 0 1 -1