36276 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 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 8 8 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 12 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 17 18 19 20 20 20 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 5 11 19 60 5 6 8 7 9 14 28 16 17 7 10 29 30 9 31 32 33 34 11 19 18 13 15 22 35 20 24 36 37 38 39 18 21 40 41 42 43 44 45 46 21 23 47 48 49 50 51 52 25 53 54 55 56 57 26 58 59 27 61 62 63 64 65 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 4 7 9 14 28 3 1 12 13 15 22 35 3 1 13 12 20 24 36 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 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 10.7262 8.9778 11.5923 11.6082 11.5923 10.7262 10.7102 12.5023 12.5103 9.8602 9.8602 7.1961 6.3282 11.6044 8.0602 12.0923 12.5923 8.9663 8.9663 5.4641 8.0602 7.2 4.5961 6.3243 3.732 2.8641 2 11.0695 10.4922 10.101 12.7068 13.1139 13.1203 12.7238 6.6604 5.79 12.2244 11.602 10.9844 11.5553 12.4023 12.6292 12.5923 13.2123 12.5923 8.9734 5.0674 5.8644 7.5245 6.58 7.2024 7.82 4.9928 4.1958 6.9443 6.3219 5.7043 3.3353 4.1324 8.4445 3.2608 2.4637 1.6879 1.4643 2.3121 -1.7726 1.262 -0.2726 1.7967 -1.2726 0.2274 1.269 0.2343 1.2759 -0.2726 -1.2726 -1.7967 -1.3 2.7967 -1.2934 -2.1386 -1.2726 -1.8072 0.2621 -1.8034 -0.2517 -2.7967 -1.3067 -0.3001 -1.8101 -1.3134 -1.8167 2.1036 1.8494 1.1534 -0.351 0.3357 1.1651 1.858 -2.1088 -0.9921 2.7991 3.4167 2.7943 -2.4486 -2.6755 -1.8286 -1.8926 -1.2726 -0.6526 -2.4272 -2.2799 -2.2768 0.0603 -2.7991 -3.4167 -2.7943 -0.8302 -0.8333 -0.2977 0.3199 -0.3024 -2.2865 -2.2835 1.5782 -0.8369 -0.84 -1.281 -2.1288 -2.3525 3 8 8 8 3 3 8 8 8 4 10 10 11 12 13 15 15 19 14 11 19 18 22 24 18 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 534 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F0783000000000000000000000000000000000000000304080000000000000910000001A00000800000D448098003206800006008002204200000208002020000088000608880C272286311A827820A5C01508B80780E0FC0EC0000108000800008000021000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(1,2-dimethylheptyl)-6,6,9-trimethyl-7,8,9,10-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-(3-methyloctan-2-yl)-7,8,9,10-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-(3-methyloctan-2-yl)-7,8,9,10-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-(3-methyloctan-2-yl)-7,8,9,10-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-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(1,2-dimethylheptyl)-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h14-18,26H,7-13H2,1-6H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QBEFIFWEOSUTKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.287180451 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H38O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC(C)C(C)C1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC(C)C(C)C1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(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 2021.10.14 370.287180451 27 3 0 3 0 0 0 0 1 -1