623060 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 16 18 18 20 20 20 6 10 8 11 17 20 19 31 6 7 8 21 9 22 10 12 23 24 11 13 14 15 16 25 18 26 17 27 19 28 17 29 19 30 32 33 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 5 6 7 8 21 3 1 6 1 5 9 22 3 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 6.1621 8.3061 2.6726 10.9457 6.6589 6.9679 5.6648 7.328 7.946 5.3584 8.6152 4.9832 8.2526 4.3492 9.6372 3.9689 3.6498 9.2698 9.9668 2 6.406 7.096 7.5602 6.8022 5.1811 7.8324 4.165 10.0467 3.5554 9.4591 11.1396 2.4588 1.583 1.5412 -0.7228 1.3457 0.1814 -0.9985 0.8105 -0.1406 0.8079 1.5536 -0.3485 -0.1378 0.3946 1.5874 -1.344 -0.3696 0.1938 1.379 0.394 -1.5684 -0.7943 0.9214 1.3765 -0.7472 2.1285 1.8822 2.175 -1.7999 -0.9615 0.6593 1.841 -2.1588 -1.5874 1.3385 1.3802 0.5044 3 3 8 8 8 8 8 8 8 8 8 8 8 8 5 6 7 7 9 9 10 11 12 13 14 15 16 18 8 1 10 12 11 13 14 15 16 18 17 19 17 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 360 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0783800000000000000000000000000000120000000346080000000000048914000001A00000800000D14A098023206800006008002204200000208002020000888000608880C272286311A827820A5C01508B807C0E0FC0EA0000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6<I>a</I>,11<I>a</I>-dihydro-6<I>H</I>-[1]benzofuro[3,2-c]chromen-3-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NSRJSISNDPOJOP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.08920892 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H14O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.08920892 20 2 0 2 0 0 0 0 1 -1