11269872 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 15 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 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 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 25 25 26 26 27 28 28 28 29 29 29 4 5 16 23 28 24 29 6 7 30 8 9 31 10 32 33 11 34 35 12 36 37 13 38 39 14 40 41 14 42 43 15 44 45 15 46 47 48 49 50 51 17 18 19 20 21 52 23 24 22 53 22 54 55 25 26 27 56 27 57 58 59 60 61 62 63 64 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 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 2 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 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6.4632 3.6688 4.2704 7.448 6.1212 7.7901 8.0908 5.1364 6.764 8.7749 9.0756 4.7944 6.422 9.4177 5.4372 5.8204 4.9544 6.6865 3.9696 4.9544 6.6865 5.8204 3.3268 3.6275 2.342 2.6428 2 3.0261 3.9283 7.0495 6.7318 7.1795 7.7901 8.3029 7.5539 4.5258 5.1364 7.1625 7.3009 8.5628 9.3118 9.6862 9.0756 4.3959 4.2575 7.0326 6.422 9.8162 9.9546 5.6492 4.9002 7.2234 4.4175 7.2234 5.8204 1.9435 2.4308 1.3894 3.501 2.6275 2.5511 3.3457 3.7163 4.5109 0.633 0.8991 -2.5124 0.4594 1.5727 -0.4803 1.2254 1.7464 2.3388 -0.654 1.0518 2.686 3.2784 0.1121 3.4521 -0.133 -0.633 -0.633 -0.8067 -1.633 -1.633 -2.133 -0.0406 -1.7463 -0.2143 -1.92 -1.154 1.6651 -3.4521 -0.0156 1.465 -0.588 -1.1003 1.808 1.5354 1.6387 1.1264 1.8638 2.6488 -1.2366 -0.964 1.1594 1.6718 3.161 2.3761 3.3861 3.8984 -0.3629 0.4221 4.0347 3.7621 -0.323 -1.943 -1.943 -2.753 0.2607 -2.5026 -1.2616 2.0636 2.14 1.2666 -3.24 -4.0347 -3.6642 8 8 8 8 8 8 8 8 8 8 8 8 16 16 17 18 19 19 20 21 23 24 25 26 17 18 20 21 23 24 22 22 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 441 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07830020000000000000000000000000000000000003060C1800000000000014000001A08000000000C048898023206800004208002204200000208002020000888000608880C272284311A80302025C01508A80780E0EC0E80000008000800000000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VNFWTIYUKDMAOP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 410.23746735 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H35O2P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 410.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4 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 2021.10.14 410.23746735 29 0 0 0 0 0 0 0 1 -1