40469923 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 5 6 6 6 7 7 8 9 9 10 10 11 12 13 13 13 14 14 14 15 15 16 16 17 17 18 19 19 19 20 20 20 21 21 21 11 20 12 21 4 5 10 22 7 9 23 6 24 25 8 26 27 8 28 13 11 12 14 15 16 17 29 30 31 32 33 34 35 36 18 37 18 38 19 39 40 41 42 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 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 5 10 22 1 1 4 3 7 9 23 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 6.4489 2.866 5.4641 4.5981 5.4641 4.5981 3.732 3.732 4.5981 6.4489 5.4641 3.732 2.866 6.7909 7.0917 5.4641 3.732 4.5981 4.5981 6.7909 2 5.6762 5.3342 6.0747 5.6762 4.9966 4.1996 3.1951 3.176 2.3291 2.556 7.3735 7.003 6.2083 6.8796 7.7023 6.001 3.1951 3.9781 4.5981 5.2181 6.2083 7.003 7.3735 1.69 1.4631 2.31 -0.6736 -0 1.5 1 2.5 3 1.5 2.5 -0 1.6736 -0.5 -0.5 3 2.6133 0.9076 -1.5 -1.5 -2 -3 -1.6133 -0.5 0.9174 0.575 2.3923 3.0826 3.475 3.475 1.19 3.5369 3.31 2.4631 2.4013 3.196 2.8254 0.325 1.0153 -1.81 -1.81 -3 -3.62 -3 -1.8254 -2.196 -1.4013 0.0369 -0.81 -1.0369 5 5 8 8 8 8 8 8 3 4 9 9 11 12 16 17 10 23 11 12 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 384 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 0 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 00000371E0783000000000000000000000000000000000000000304000000000000000010000001A00000000000D048098023206800004008002204200000208002020000088000608880C272284311A80302025C01508A80780E0FC0EC0000108000800008000021000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-1,3-dimethoxy-5-methyl-benzene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]benzene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dimethoxy-5-methyl-2-[(1<I>R</I>,6<I>R</I>)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]benzene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-1,3-dimethoxy-5-methyl-benzene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H26O2/c1-12(2)15-8-7-13(3)9-16(15)19-17(20-5)10-14(4)11-18(19)21-6/h9-11,15-16H,1,7-8H2,2-6H3/t15-,16+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ICHJMVMWPKLUKT-JKSUJKDBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 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 CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C=C2OC)C)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2OC)C)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 286.193280068 21 2 2 0 0 0 0 0 1 -1