622545 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 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 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 15 15 16 17 17 17 18 19 19 19 20 20 20 21 21 21 3 7 14 40 4 8 9 5 10 6 11 7 14 12 22 23 24 25 26 27 18 28 15 29 13 30 16 17 16 18 20 31 19 32 33 34 21 35 36 37 38 39 41 42 43 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 2 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 6.3904 4.642 7.2564 7.2564 6.3904 5.5243 5.5243 7.7564 8.2564 8.1664 6.3743 4.6304 3.7243 4.6304 7.2723 3.7243 2.8602 8.1744 2.8641 7.2685 2 7.2194 8.0664 8.2933 8.2564 8.8764 8.2564 8.6997 5.8338 4.6376 3.1886 2.6459 2.2501 8.7126 3.0784 3.4742 7.8885 7.2661 6.6485 4.1086 1.6879 1.4643 2.3121 -1.5209 1.5137 -1.0209 -0.0209 0.4791 -0.0209 -1.0209 -1.8869 -1.0209 0.486 1.5206 -1.5556 -1.0417 0.5138 2.0484 -0.0001 -1.545 1.5276 -2.545 3.0484 -3.0484 -2.1969 -2.4238 -1.5769 -1.6409 -1.0209 -0.4009 0.1698 1.8244 -2.1755 0.312 -0.9632 -1.655 1.8355 -3.1268 -2.435 3.0508 3.6684 3.046 1.8299 -2.5126 -3.3604 -3.5841 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 10 11 12 13 14 15 5 10 11 7 14 12 18 15 13 16 16 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 365 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 00000371E0783000000000000000000000000000000000000000346080000000000000914000001A00000800000C448098003206800006008002204200000208002020000888000608880C272286311A827820A5C01508B80780E0FC0EC0000308001800008000061000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propyl-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-propyl-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-propylbenzo[c]chromen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,6,9-trimethyl-3-propylbenzo[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-benzo[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-benzo[c]chromen-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SVTKBAIRFMXQQF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 282.161979940 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H22O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 282.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=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 CCCC1=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 2021.10.14 282.161979940 21 0 0 0 0 0 0 0 1 -1