100633 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 8 8 8 8 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 2 2 3 3 4 5 5 6 6 7 7 8 9 9 10 12 12 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 22 22 5 9 8 16 11 22 10 6 7 10 12 8 15 13 11 14 11 13 23 24 17 18 16 25 26 19 27 20 28 21 29 21 30 31 32 33 34 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 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 4.3798 2.5836 7.0479 7.0321 4.3958 5.2619 3.5298 3.5298 5.2778 6.1719 6.1799 5.2619 4.3958 5.274 2.5836 2 4.406 6.1381 4.4022 6.1342 5.2663 7.912 5.7988 4.3958 2.391 1.38 3.8703 6.6762 3.864 6.67 5.2639 7.5999 8.4477 8.224 -0.2431 -3.0894 0.2605 -1.7878 -1.2846 -1.7846 -1.7846 -2.7846 0.2846 -1.2778 -0.2362 -2.7846 -3.2846 1.2846 -1.4799 -2.2846 1.7813 1.788 2.7813 2.788 3.2846 -0.2428 -3.0946 -3.9046 -0.8906 -2.2846 1.4692 1.48 3.0892 3.1 3.9046 -0.7786 -0.5549 0.2929 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 6 7 7 8 9 10 12 14 14 15 17 18 19 20 5 9 8 16 6 7 10 12 8 15 13 11 11 13 17 18 16 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 478 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C078380000000000000000000000000000012000000030608000000000004881F400001A00000000000C04A098023206C00004408802A85280020208002420000888014608C80C273684351E823960A5E01508A987CAEEFCEE20000208000800004000041000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenyl-4-furo[2,3-h][1]benzopyranone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenylfuro[2,3-h]chromen-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenylfuro[2,3-h]chromen-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LKPQNZRGGNOPPU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.07355886 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H12O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 48.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.07355886 22 0 0 0 0 0 0 0 1 -1