54719916 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 8 8 7 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 2 3 3 3 4 4 4 5 5 7 7 8 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 8 36 6 5 6 7 6 8 10 9 11 12 13 9 22 14 15 23 24 25 16 26 17 27 18 28 19 29 20 30 20 31 21 32 21 33 34 35 1 1 2 1 1 1 1 2 1 2 1 2 1 1 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 5.4641 3.732 5.4641 4.5981 6.3301 4.5981 5.4641 5.4641 6.3301 3.732 7.1962 4.5981 6.3301 3.732 2.866 4.5981 6.3301 2.866 2 5.4641 2 6.8671 6.8862 7.7331 7.5062 4.0611 6.8671 4.269 2.866 4.0611 6.8671 2.866 1.4631 5.4641 1.4631 6.001 2.75 -0.25 -0.25 1.25 0.25 0.25 -1.25 1.75 1.25 1.75 -0.25 -1.75 -1.75 2.75 1.25 -2.75 -2.75 3.25 1.75 -3.25 2.75 1.56 -0.7869 -0.56 0.2869 -1.44 -1.44 3.06 0.63 -3.06 -3.06 3.87 1.44 -3.87 3.06 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 7 7 8 10 10 12 13 14 15 16 17 18 19 5 6 6 8 9 12 13 9 14 15 16 17 18 19 20 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 466 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07A3000000000000000000000000000000000000000306080000000000000014000001E00000800000C0C81980032C0830002008802255250008200002122000888010064C8082432C09591843008608400C8D9071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-methyl-1,3-diphenyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-methyl-1,3-diphenyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-methyl-1,3-diphenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-methyl-1,3-diphenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methyl-4-oxidanyl-1,3-diphenyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6-methyl-1,3-diphenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H15NO2/c1-13-12-16(20)17(14-8-4-2-5-9-14)18(21)19(13)15-10-6-3-7-11-15/h2-12,20H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QXPGFZLHECYQND-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.110278721 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H15NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=O)N1C2=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 2021.05.07 277.110278721 21 0 0 0 0 0 0 0 1 -1