70503940 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 8 8 8 8 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 2 2 3 3 4 5 5 5 6 6 7 8 8 9 9 10 10 11 11 12 13 14 14 15 15 17 17 17 18 18 18 19 19 19 20 21 21 22 22 22 23 23 7 17 12 19 16 20 20 6 7 8 10 11 9 13 24 12 25 14 26 15 27 13 28 16 29 16 30 18 31 32 33 34 35 36 37 38 21 22 23 39 40 41 42 43 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 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 3.732 5.4641 5.4641 7.1962 5.4641 5.4641 4.5981 6.3301 4.5981 6.3301 4.5981 5.4641 6.3301 6.3301 4.5981 5.4641 2.866 2 6.3301 6.3301 6.3301 7.1962 5.4641 6.8671 4.0611 6.8671 4.0611 6.8671 6.8671 4.0611 2.4675 3.2646 2.31 1.4631 1.69 6.0201 6.8671 6.6401 7.5062 7.7331 6.8862 5.4641 4.9272 -1.25 -4.25 2.75 2.75 -1.25 -0.25 -1.75 -1.75 -2.75 0.25 0.25 -3.25 -2.75 1.25 1.25 1.75 -1.75 -1.25 -4.75 3.25 4.25 4.75 4.75 -1.44 -3.06 -0.06 -0.06 -3.06 1.56 1.56 -2.225 -2.225 -0.7131 -0.94 -1.7869 -5.2869 -5.06 -4.2131 4.2131 5.06 5.2869 5.37 4.44 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 9 10 11 12 14 15 7 8 10 11 9 13 12 14 15 13 16 16 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 398 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0783800000000000000000000000000000000000000306000000000000000014000001A00000000000C04A09802320E80000400880220D208000208002020000888010608C80C272284311A823A20A5C01508A88780E0FC0EA0000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-ethoxy-4-methoxy-phenyl)phenyl] 2-methylprop-2-enoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methyl-2-propenoic acid [4-(2-ethoxy-4-methoxyphenyl)phenyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-ethoxy-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-ethoxy-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(2-ethoxy-4-methoxy-phenyl)phenyl] 2-methylprop-2-enoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methylacrylic acid [4-(2-ethoxy-4-methoxy-phenyl)phenyl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20O4/c1-5-22-18-12-16(21-4)10-11-17(18)14-6-8-15(9-7-14)23-19(20)13(2)3/h6-12H,2,5H2,1,3-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ONVLMHHRHVDYPE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.13615911 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)OC(=O)C(=C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)OC(=O)C(=C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 44.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.13615911 23 0 0 0 0 0 0 0 1 -1