[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C175H245F7N6O35 — CID 163978044

IUPAC[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCC(C)O[C@H]1CCCC(C(=O)O)C1.CC(C)O[C@H]1CCC[C@H](C(=O)O)C1.CC(C)c1ccc(C2(C(=O)O)CC2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(F)c1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cn1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cn1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](OC=O)C1
InChIInChI=1S/2C16H20F3NO3.C16H21FO3.2C16H23NO3.2C16H22O3.2C15H21NO3.C13H16O2.2C10H18O3/c1-10(2)13-6-7-14(15(20-13)16(17,18)19)23-12-5-3-4-11(8-12)22-9-21;1-9(2)12-6-7-13(14(20-12)16(17,18)19)23-11-5-3-4-10(8-11)15(21)22;1-10(2)11-6-7-15(14(17)9-11)20-13-5-3-4-12(8-13)16(18)19;1-11(2)15-7-8-16(12(3)17-15)20-14-6-4-5-13(9-14)19-10-18;1-10(2)14-7-8-15(11(3)17-14)20-13-6-4-5-12(9-13)16(18)19;1-12(2)13-6-8-14(9-7-13)19-16-5-3-4-15(10-16)18-11-17;1-11(2)12-6-8-14(9-7-12)19-15-5-3-4-13(10-15)16(17)18;1-11(2)15-7-6-14(9-16-15)19-13-5-3-4-12(8-13)18-10-17;1-10(2)14-7-6-13(9-16-14)19-12-5-3-4-11(8-12)15(17)18;1-9(2)10-3-5-11(6-4-10)13(7-8-13)12(14)15;2*1-7(2)13-9-5-3-4-8(6-9)10(11)12/h6-7,9-12H,3-5,8H2,1-2H3;6-7,9-11H,3-5,8H2,1-2H3,(H,21,22);6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,19);7-8,10-11,13-14H,4-6,9H2,1-3H3;7-8,10,12-13H,4-6,9H2,1-3H3,(H,18,19);6-9,11-12,15-16H,3-5,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3,(H,17,18);6-7,9-13H,3-5,8H2,1-2H3;6-7,9-12H,3-5,8H2,1-2H3,(H,17,18);3-6,9H,7-8H2,1-2H3,(H,14,15);2*7-9H,3-6H2,1-2H3,(H,11,12)/t11-,12-;10-,11-;12-,13-;13-,14-;12-,13-;15-,16-;13-,15-;12-,13-;11-,12-;;8?,9-;8-,9-/m000000000.00/s1
InChIKeySVWQRKZHKIBPBD-DZSWDYQESA-N
MW3125.88 g/mol
LogP40.05
Rot. Bonds49

About [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 163978044) has the molecular formula C175H245F7N6O35 and a molecular weight of 3125.88 g/mol. Its IUPAC name is [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID163978044
Molecular FormulaC175H245F7N6O35
Molecular Weight3125.88 g/mol
Exact Mass3123.75
IUPAC Name[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCC(C)O[C@H]1CCCC(C(=O)O)C1.CC(C)O[C@H]1CCC[C@H](C(=O)O)C1.CC(C)c1ccc(C2(C(=O)O)CC2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(F)c1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cn1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cn1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](OC=O)C1
InChIInChI=1S/2C16H20F3NO3.C16H21FO3.2C16H23NO3.2C16H22O3.2C15H21NO3.C13H16O2.2C10H18O3/c1-10(2)13-6-7-14(15(20-13)16(17,18)19)23-12-5-3-4-11(8-12)22-9-21;1-9(2)12-6-7-13(14(20-12)16(17,18)19)23-11-5-3-4-10(8-11)15(21)22;1-10(2)11-6-7-15(14(17)9-11)20-13-5-3-4-12(8-13)16(18)19;1-11(2)15-7-8-16(12(3)17-15)20-14-6-4-5-13(9-14)19-10-18;1-10(2)14-7-8-15(11(3)17-14)20-13-6-4-5-12(9-13)16(18)19;1-12(2)13-6-8-14(9-7-13)19-16-5-3-4-15(10-16)18-11-17;1-11(2)12-6-8-14(9-7-12)19-15-5-3-4-13(10-15)16(17)18;1-11(2)15-7-6-14(9-16-15)19-13-5-3-4-12(8-13)18-10-17;1-10(2)14-7-6-13(9-16-14)19-12-5-3-4-11(8-12)15(17)18;1-9(2)10-3-5-11(6-4-10)13(7-8-13)12(14)15;2*1-7(2)13-9-5-3-4-8(6-9)10(11)12/h6-7,9-12H,3-5,8H2,1-2H3;6-7,9-11H,3-5,8H2,1-2H3,(H,21,22);6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,19);7-8,10-11,13-14H,4-6,9H2,1-3H3;7-8,10,12-13H,4-6,9H2,1-3H3,(H,18,19);6-9,11-12,15-16H,3-5,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3,(H,17,18);6-7,9-13H,3-5,8H2,1-2H3;6-7,9-12H,3-5,8H2,1-2H3,(H,17,18);3-6,9H,7-8H2,1-2H3,(H,14,15);2*7-9H,3-6H2,1-2H3,(H,11,12)/t11-,12-;10-,11-;12-,13-;13-,14-;12-,13-;15-,16-;13-,15-;12-,13-;11-,12-;;8?,9-;8-,9-/m000000000.00/s1
InChIKeySVWQRKZHKIBPBD-DZSWDYQESA-N
XLogP40.05
TPSA582.47 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds49
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003125.88
LogP ≤ 540.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 163978044) is [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is CC(C)O[C@H]1CCCC(C(=O)O)C1.CC(C)O[C@H]1CCC[C@H](C(=O)O)C1.CC(C)c1ccc(C2(C(=O)O)CC2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(F)c1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)cn1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)c(C(F)(F)F)n1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cc1.CC(C)c1ccc(O[C@H]2CCC[C@H](OC=O)C2)cn1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](C(=O)O)C1.Cc1nc(C(C)C)ccc1O[C@H]1CCC[C@H](OC=O)C1.
What is the InChIKey of [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is SVWQRKZHKIBPBD-DZSWDYQESA-N. The full InChI is InChI=1S/2C16H20F3NO3.C16H21FO3.2C16H23NO3.2C16H22O3.2C15H21NO3.C13H16O2.2C10H18O3/c1-10(2)13-6-7-14(15(20-13)16(17,18)19)23-12-5-3-4-11(8-12)22-9-21;1-9(2)12-6-7-13(14(20-12)16(17,18)19)23-11-5-3-4-10(8-11)15(21)22;1-10(2)11-6-7-15(14(17)9-11)20-13-5-3-4-12(8-13)16(18)19;1-11(2)15-7-8-16(12(3)17-15)20-14-6-4-5-13(9-14)19-10-18;1-10(2)14-7-8-15(11(3)17-14)20-13-6-4-5-12(9-13)16(18)19;1-12(2)13-6-8-14(9-7-13)19-16-5-3-4-15(10-16)18-11-17;1-11(2)12-6-8-14(9-7-12)19-15-5-3-4-13(10-15)16(17)18;1-11(2)15-7-6-14(9-16-15)19-13-5-3-4-12(8-13)18-10-17;1-10(2)14-7-6-13(9-16-14)19-12-5-3-4-11(8-12)15(17)18;1-9(2)10-3-5-11(6-4-10)13(7-8-13)12(14)15;2*1-7(2)13-9-5-3-4-8(6-9)10(11)12/h6-7,9-12H,3-5,8H2,1-2H3;6-7,9-11H,3-5,8H2,1-2H3,(H,21,22);6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,19);7-8,10-11,13-14H,4-6,9H2,1-3H3;7-8,10,12-13H,4-6,9H2,1-3H3,(H,18,19);6-9,11-12,15-16H,3-5,10H2,1-2H3;6-9,11,13,15H,3-5,10H2,1-2H3,(H,17,18);6-7,9-13H,3-5,8H2,1-2H3;6-7,9-12H,3-5,8H2,1-2H3,(H,17,18);3-6,9H,7-8H2,1-2H3,(H,14,15);2*7-9H,3-6H2,1-2H3,(H,11,12)/t11-,12-;10-,11-;12-,13-;13-,14-;12-,13-;15-,16-;13-,15-;12-,13-;11-,12-;;8?,9-;8-,9-/m000000000.00/s1.
What are the key properties of [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 3125.88 g/mol, XLogP of 40.05, 49 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 163978044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).