2543 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 44 45 46 47 48 49 8 8 6 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 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 13 13 14 15 15 16 16 16 17 18 18 19 19 19 20 21 21 21 22 22 22 23 23 23 3 7 14 46 4 8 9 5 13 6 15 7 14 12 24 25 26 27 28 29 11 12 17 16 30 31 32 20 33 17 18 34 19 35 36 37 20 22 21 38 39 40 23 41 42 43 44 45 47 48 49 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8.9942 7.2458 9.8602 9.8602 8.9942 8.1282 8.1282 10.3602 10.8602 6.3282 5.4641 7.2342 10.7702 7.2342 8.9781 4.5961 6.3282 9.8762 3.732 10.7783 2.8641 9.8723 2 9.8233 10.6702 10.8972 10.8602 11.4802 10.8602 5.0674 5.8644 7.2414 11.3035 8.4377 4.9928 4.1958 5.7924 3.3353 4.1324 11.3164 3.2608 2.4637 10.4923 9.8699 9.2523 6.7125 1.6879 1.4643 2.3121 -2.1016 0.933 -1.6016 -0.6016 -0.1016 -0.6016 -1.6016 -2.4676 -1.6016 -1.6224 -2.1258 -2.1363 -0.0948 -0.067 0.9399 -1.6291 -0.5808 1.4676 -2.1324 0.9468 -1.6358 2.4676 -2.1391 -2.7776 -3.0046 -2.1576 -2.2216 -1.6016 -0.9816 -2.6022 -2.5992 -2.7562 -0.411 1.2437 -1.1526 -1.1557 -0.2687 -2.6089 -2.6059 1.2548 -1.1593 -1.1624 2.47 3.0876 2.4652 1.2492 -1.6034 -2.4512 -2.6748 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 10 10 13 14 15 18 5 13 15 7 14 12 12 17 20 17 18 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 391 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783000000000000000000000000000000000000000346080000000000000914000001A00000800000C448098003206800006008002204200000208002020000888000608880C272286311A827820A5C01508B80780E0FC0EC0000308001800008000061000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-pentyl-benzo[c]chromen-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-pentyl-1-benzo[c][1]benzopyranol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-pentyl-benzo[c]chromen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cannabinol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VBGLYOIFKLUMQG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.193280068 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H26O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 310.193280068 23 0 0 0 0 0 0 0 1 -1