54747392 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 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 2 3 4 4 4 5 5 6 6 6 7 7 10 10 11 11 12 12 12 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 20 21 21 22 22 23 24 9 37 8 13 5 8 10 7 12 8 9 11 9 13 14 15 16 17 25 26 27 18 19 28 20 29 21 30 22 31 32 33 34 23 35 23 36 24 38 24 39 40 41 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 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 5.4641 3.732 7.1962 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 5.4641 3.732 7.1962 7.1962 4.5981 6.3301 3.732 2.866 8.0622 4.5981 6.3301 2.866 2 5.4641 2 6.8862 7.7331 7.5062 4.0611 6.8671 4.269 2.866 7.7522 8.5991 8.3722 4.0611 6.8671 6.001 2.866 1.4631 5.4641 1.4631 2.75 -0.25 2.75 -0.25 0.25 1.25 1.25 0.25 1.75 -1.25 1.75 -0.25 1.75 -1.75 -1.75 2.75 1.25 1.25 -2.75 -2.75 3.25 1.75 -3.25 2.75 -0.7869 -0.56 0.2869 -1.44 -1.44 3.06 0.63 0.7131 0.94 1.7869 -3.06 -3.06 3.06 3.87 1.44 -3.87 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 10 10 11 11 14 15 16 17 19 20 21 22 5 8 7 8 9 9 14 15 16 17 19 20 21 22 23 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 590 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07A3000000000000000000000000000000000000000306080000000000000014000001E00000800000C0C81980032C0830002008802A55250008200002122000888010064C8082436C0959184700864A400C8D9471888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-acetyl-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 5-acetyl-4-hydroxy-6-methyl-1,3-diphenyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-acetyl-4-hydroxy-6-methyl-1,3-diphenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-acetyl-4-hydroxy-6-methyl-1,3-diphenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-ethanoyl-6-methyl-4-oxidanyl-1,3-diphenyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-acetyl-4-hydroxy-6-methyl-1,3-diphenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H17NO3/c1-13-17(14(2)22)19(23)18(15-9-5-3-6-10-15)20(24)21(13)16-11-7-4-8-12-16/h3-12,23H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BUWRHGFOSKVSQK-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 2021.05.07 319.12084340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H17NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=C(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=C(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.12084340 24 0 0 0 0 0 0 0 1 -1