2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid

C224H208B5BrF6N8O43 — CID 157116644

IUPAC2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid
SMILESCN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Br)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccc(C#N)cc5)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)OC(=O)C1.COc1ccc(Oc2cccc3c2CC[C@@H]3O)c(C)n1.Cc1cccc(C)c1Oc1cccc2c1CC[C@@H]2O.Cc1cccc(C)c1Oc1cccc2c1CC[C@H]2Oc1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3OC2CCCCO2)cc1.OB(O)c1ccc(O[C@@H]2CCc3c(Oc4cccc(OC(F)(F)F)c4)cccc32)cc1.O[C@H]1CCc2c(Oc3cccc(OC(F)(F)F)c3)cccc21.O[C@H]1CCc2c(Oc3ccccc3)cccc21
InChIInChI=1S/C28H28BNO6.C27H23BN2O6.C26H24BNO6.C22H18BF3O5.C21H21NO3.C20H19BBrNO5.C17H18O2.C16H13F3O3.C16H17NO3.C16H13NO2.C15H14O2/c1-18-6-4-7-19(2)28(18)34-24-9-5-8-22-23(24)14-15-25(22)33-21-12-10-20(11-13-21)29-35-26(31)16-30(3)17-27(32)36-29;1-30-16-26(31)35-28(36-27(32)17-30)19-7-11-21(12-8-19)34-25-14-13-23-22(25)3-2-4-24(23)33-20-9-5-18(15-29)6-10-20;1-28-16-25(29)33-27(34-26(30)17-28)18-10-12-20(13-11-18)32-24-15-14-22-21(24)8-5-9-23(22)31-19-6-3-2-4-7-19;24-22(25,26)31-17-4-1-3-16(13-17)30-20-6-2-5-18-19(20)11-12-21(18)29-15-9-7-14(8-10-15)23(27)28;22-14-15-7-9-16(10-8-15)24-19-5-3-4-17-18(19)11-12-20(17)25-21-6-1-2-13-23-21;1-23-11-19(24)27-21(28-20(25)12-23)13-5-7-14(8-6-13)26-18-10-9-15-16(18)3-2-4-17(15)22;1-11-5-3-6-12(2)17(11)19-16-8-4-7-13-14(16)9-10-15(13)18;17-16(18,19)22-11-4-1-3-10(9-11)21-15-6-2-5-12-13(15)7-8-14(12)20;1-10-14(8-9-16(17-10)19-2)20-15-5-3-4-11-12(15)6-7-13(11)18;17-10-11-4-6-12(7-5-11)19-16-3-1-2-13-14(16)8-9-15(13)18;16-14-10-9-13-12(14)7-4-8-15(13)17-11-5-2-1-3-6-11/h4-13,25H,14-17H2,1-3H3;2-12,25H,13-14,16-17H2,1H3;2-13,24H,14-17H2,1H3;1-10,13,21,27-28H,11-12H2;3-5,7-10,20-21H,1-2,6,11-13H2;2-8,18H,9-12H2,1H3;3-8,15,18H,9-10H2,1-2H3;1-6,9,14,20H,7-8H2;3-5,8-9,13,18H,6-7H2,1-2H3;1-7,15,18H,8-9H2;1-8,14,16H,9-10H2/t2*25-;24-;21-;20-,21?;18-;15-;14-;13-;15-;14-/m11110100000/s1
InChIKeyAHMGQTSKFKHLCW-MBACCLPASA-N
MW3948.09 g/mol
LogP39.94
Rot. Bonds40

About 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid

2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid (PubChem CID 157116644) has the molecular formula C224H208B5BrF6N8O43 and a molecular weight of 3948.09 g/mol. Its IUPAC name is 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid.

Molecular Properties

Compound Name2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid
PubChem CID157116644
Molecular FormulaC224H208B5BrF6N8O43
Molecular Weight3948.09 g/mol
Exact Mass3945.39
IUPAC Name2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid
SMILESCN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Br)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccc(C#N)cc5)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)OC(=O)C1.COc1ccc(Oc2cccc3c2CC[C@@H]3O)c(C)n1.Cc1cccc(C)c1Oc1cccc2c1CC[C@@H]2O.Cc1cccc(C)c1Oc1cccc2c1CC[C@H]2Oc1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3OC2CCCCO2)cc1.OB(O)c1ccc(O[C@@H]2CCc3c(Oc4cccc(OC(F)(F)F)c4)cccc32)cc1.O[C@H]1CCc2c(Oc3cccc(OC(F)(F)F)c3)cccc21.O[C@H]1CCc2c(Oc3ccccc3)cccc21
InChIInChI=1S/C28H28BNO6.C27H23BN2O6.C26H24BNO6.C22H18BF3O5.C21H21NO3.C20H19BBrNO5.C17H18O2.C16H13F3O3.C16H17NO3.C16H13NO2.C15H14O2/c1-18-6-4-7-19(2)28(18)34-24-9-5-8-22-23(24)14-15-25(22)33-21-12-10-20(11-13-21)29-35-26(31)16-30(3)17-27(32)36-29;1-30-16-26(31)35-28(36-27(32)17-30)19-7-11-21(12-8-19)34-25-14-13-23-22(25)3-2-4-24(23)33-20-9-5-18(15-29)6-10-20;1-28-16-25(29)33-27(34-26(30)17-28)18-10-12-20(13-11-18)32-24-15-14-22-21(24)8-5-9-23(22)31-19-6-3-2-4-7-19;24-22(25,26)31-17-4-1-3-16(13-17)30-20-6-2-5-18-19(20)11-12-21(18)29-15-9-7-14(8-10-15)23(27)28;22-14-15-7-9-16(10-8-15)24-19-5-3-4-17-18(19)11-12-20(17)25-21-6-1-2-13-23-21;1-23-11-19(24)27-21(28-20(25)12-23)13-5-7-14(8-6-13)26-18-10-9-15-16(18)3-2-4-17(15)22;1-11-5-3-6-12(2)17(11)19-16-8-4-7-13-14(16)9-10-15(13)18;17-16(18,19)22-11-4-1-3-10(9-11)21-15-6-2-5-12-13(15)7-8-14(12)20;1-10-14(8-9-16(17-10)19-2)20-15-5-3-4-11-12(15)6-7-13(11)18;17-10-11-4-6-12(7-5-11)19-16-3-1-2-13-14(16)8-9-15(13)18;16-14-10-9-13-12(14)7-4-8-15(13)17-11-5-2-1-3-6-11/h4-13,25H,14-17H2,1-3H3;2-12,25H,13-14,16-17H2,1H3;2-13,24H,14-17H2,1H3;1-10,13,21,27-28H,11-12H2;3-5,7-10,20-21H,1-2,6,11-13H2;2-8,18H,9-12H2,1H3;3-8,15,18H,9-10H2,1-2H3;1-6,9,14,20H,7-8H2;3-5,8-9,13,18H,6-7H2,1-2H3;1-7,15,18H,8-9H2;1-8,14,16H,9-10H2/t2*25-;24-;21-;20-,21?;18-;15-;14-;13-;15-;14-/m11110100000/s1
InChIKeyAHMGQTSKFKHLCW-MBACCLPASA-N
XLogP39.94
TPSA633.83 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds40
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003948.09
LogP ≤ 539.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938361
6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938335
7-bromo-2,3-dihydro-1-benzofuran-3-ol;5-[4-[(7-bromo-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one;2-[4-[(7-bromo-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(2-methoxyethyl)-N-methyl-4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide;(1S)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;2-methyl-4-[[6-methyl-5-[[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]-2-pyridinyl]oxy]butan-2-ol;6-methyl-2-[4-[[(1R)-4-[4-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 160682192
(4Z,7Z)-2-[4-[[(1R)-4-[(3-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocine-4,8-diol
CID 123683553
1,4-diphenoxy-2,3-dihydro-1H-indene
CID 141398687
(4Z)-6-methyl-2-[4-[[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocine-4,8-diol
CID 123874791
2-[(3S)-6-[[(1R)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57343794
(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 67058341
methyl 2-[6-[[4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 77359769
(4Z)-2-[4-[(4-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocine-4,8-diol
CID 123224029
ethyl 3-(aminomethylamino)-3-[4-[[(1R)-4-(4-cyanophenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoate
CID 158460804
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid?
The IUPAC name of 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid (CID 157116644) is 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid.
What is the SMILES notation for 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid?
The canonical SMILES for 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid is CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Br)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccc(C#N)cc5)cccc43)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)OC(=O)C1.COc1ccc(Oc2cccc3c2CC[C@@H]3O)c(C)n1.Cc1cccc(C)c1Oc1cccc2c1CC[C@@H]2O.Cc1cccc(C)c1Oc1cccc2c1CC[C@H]2Oc1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@@H]3OC2CCCCO2)cc1.OB(O)c1ccc(O[C@@H]2CCc3c(Oc4cccc(OC(F)(F)F)c4)cccc32)cc1.O[C@H]1CCc2c(Oc3cccc(OC(F)(F)F)c3)cccc21.O[C@H]1CCc2c(Oc3ccccc3)cccc21.
What is the InChIKey of 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid?
The InChIKey is AHMGQTSKFKHLCW-MBACCLPASA-N. The full InChI is InChI=1S/C28H28BNO6.C27H23BN2O6.C26H24BNO6.C22H18BF3O5.C21H21NO3.C20H19BBrNO5.C17H18O2.C16H13F3O3.C16H17NO3.C16H13NO2.C15H14O2/c1-18-6-4-7-19(2)28(18)34-24-9-5-8-22-23(24)14-15-25(22)33-21-12-10-20(11-13-21)29-35-26(31)16-30(3)17-27(32)36-29;1-30-16-26(31)35-28(36-27(32)17-30)19-7-11-21(12-8-19)34-25-14-13-23-22(25)3-2-4-24(23)33-20-9-5-18(15-29)6-10-20;1-28-16-25(29)33-27(34-26(30)17-28)18-10-12-20(13-11-18)32-24-15-14-22-21(24)8-5-9-23(22)31-19-6-3-2-4-7-19;24-22(25,26)31-17-4-1-3-16(13-17)30-20-6-2-5-18-19(20)11-12-21(18)29-15-9-7-14(8-10-15)23(27)28;22-14-15-7-9-16(10-8-15)24-19-5-3-4-17-18(19)11-12-20(17)25-21-6-1-2-13-23-21;1-23-11-19(24)27-21(28-20(25)12-23)13-5-7-14(8-6-13)26-18-10-9-15-16(18)3-2-4-17(15)22;1-11-5-3-6-12(2)17(11)19-16-8-4-7-13-14(16)9-10-15(13)18;17-16(18,19)22-11-4-1-3-10(9-11)21-15-6-2-5-12-13(15)7-8-14(12)20;1-10-14(8-9-16(17-10)19-2)20-15-5-3-4-11-12(15)6-7-13(11)18;17-10-11-4-6-12(7-5-11)19-16-3-1-2-13-14(16)8-9-15(13)18;16-14-10-9-13-12(14)7-4-8-15(13)17-11-5-2-1-3-6-11/h4-13,25H,14-17H2,1-3H3;2-12,25H,13-14,16-17H2,1H3;2-13,24H,14-17H2,1H3;1-10,13,21,27-28H,11-12H2;3-5,7-10,20-21H,1-2,6,11-13H2;2-8,18H,9-12H2,1H3;3-8,15,18H,9-10H2,1-2H3;1-6,9,14,20H,7-8H2;3-5,8-9,13,18H,6-7H2,1-2H3;1-7,15,18H,8-9H2;1-8,14,16H,9-10H2/t2*25-;24-;21-;20-,21?;18-;15-;14-;13-;15-;14-/m11110100000/s1.
What are the key properties of 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid?
2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid has a molecular weight of 3948.09 g/mol, XLogP of 39.94, 40 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;(1S)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-ol;2-[4-[[(1R)-4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol;4-[[(1R)-1-[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione;4-[[(1S)-1-(oxan-2-yloxy)-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;(1S)-4-phenoxy-2,3-dihydro-1H-inden-1-ol;(1S)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-ol;[4-[[(1R)-4-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]boronic acid is sourced from PubChem (CID 157116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).