34180 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 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 1 1 1 1 1 1 2 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 11 12 12 12 13 13 13 14 15 15 16 16 16 17 17 18 19 19 19 20 20 20 21 21 21 5 11 14 42 4 5 6 22 7 9 23 12 13 8 24 25 11 14 10 26 27 10 28 16 15 29 30 31 32 33 34 18 17 35 36 37 38 18 19 39 20 40 41 21 43 44 45 46 47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 4 5 6 22 3 1 4 3 7 9 23 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 35 36 37 38 39 40 41 42 43 44 45 46 47 6.3904 4.642 7.2564 6.3904 7.2564 8.1664 5.5243 8.1744 6.3743 7.2723 5.5243 7.7564 8.2564 4.6304 4.6304 7.2685 3.7243 3.7243 2.8602 2.8641 2 7.7909 6.9249 8.3709 8.778 8.7844 8.388 5.8338 7.2194 8.0664 8.2933 8.2564 8.8764 8.2564 4.6376 7.8885 7.2661 6.6485 3.1886 2.6459 2.2501 4.1086 3.0784 3.4742 1.6879 1.4643 2.3121 -1.5209 1.5137 -0.0209 0.4791 -1.0209 0.486 -0.0209 1.5276 1.5206 2.0484 -1.0209 -1.8869 -1.0209 0.5138 -1.5556 3.0484 -1.0417 -0.0001 -1.545 -2.545 -3.0484 -0.335 0.7932 -0.0993 0.5873 1.4168 2.1096 1.8244 -2.1969 -2.4238 -1.5769 -1.6409 -1.0209 -0.4009 -2.1755 3.0508 3.6684 3.046 0.312 -0.9632 -1.655 1.8299 -3.1268 -2.435 -2.5126 -3.3604 -3.5841 3 3 8 8 8 8 8 8 3 4 7 7 11 14 15 17 6 9 11 14 15 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 412 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783000000000000000000000000000000000000000344080000000000000910000001A00000800000D448098003206800006008002204200000208002020000088000608880C272286311A827820A5C01508B80780E0FC0EC0000108000800008000021000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[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-propyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-6<I>a</I>,7,8,10<I>a</I>-tetrahydrobenzo[c]chromen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZROLHBHDLIHEMS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.193280068 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H26O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(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 2021.10.14 286.193280068 21 2 0 2 0 0 0 0 1 -1