potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide

C89H101F11KN3O20 — CID 158088550

About potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide

potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide (PubChem CID 158088550) has the molecular formula C89H101F11KN3O20 and a molecular weight of 1780.86 g/mol. Its IUPAC name is potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide.

Molecular Properties

• Compound Name: potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide
• PubChem CID: 158088550
• Molecular Formula: C89H101F11KN3O20
• Molecular Weight: 1780.86 g/mol
• Exact Mass: 1779.64
• IUPAC Name: potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide
• SMILES: COC(=O)c1c(C)cccc1CO[C@@H]1CCC[C@H](OCc2nc(-c3cc(F)cc(C(F)(F)F)c3)oc2C)C1.COC(=O)c1c(C)cccc1CO[C@@H]1CCC[C@H](OCc2nc(-c3cc(F)cc(C(F)(F)F)c3)oc2C)C1.COCCO.COCCOc1cc(-c2nc(CO[C@H]3CCC[C@@H](OCc4cccc(C)c4C(=O)O)C3)c(C)o2)cc(C(F)(F)F)c1.[K+].[OH-]
• InChI: InChI=1S/C30H34F3NO7.2C28H29F4NO5.C3H8O2.K.H2O/c1-18-6-4-7-20(27(18)29(35)36)16-39-23-8-5-9-24(15-23)40-17-26-19(2)41-28(34-26)21-12-22(30(31,32)33)14-25(13-21)38-11-10-37-3;2*1-16-6-4-7-18(25(16)27(34)35-3)14-36-22-8-5-9-23(13-22)37-15-24-17(2)38-26(33-24)19-10-20(28(30,31)32)12-21(29)11-19;1-5-3-2-4;;/h4,6-7,12-14,23-24H,5,8-11,15-17H2,1-3H3,(H,35,36);2*4,6-7,10-12,22-23H,5,8-9,13-15H2,1-3H3;4H,2-3H2,1H3;;1H2/q;;;;+1;/p-1/t23-,24+;2*22-,23+;;;/m111.../s1
• InChIKey: FNUSETZZEPRXRR-ZBKYGTKOSA-M
• XLogP: 17.09
• TPSA: 301.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.86
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide?

The IUPAC name of potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide (CID 158088550) is potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide.

What is the SMILES notation for potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide?

The canonical SMILES for potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide is COC(=O)c1c(C)cccc1CO[C@@H]1CCC[C@H](OCc2nc(-c3cc(F)cc(C(F)(F)F)c3)oc2C)C1.COC(=O)c1c(C)cccc1CO[C@@H]1CCC[C@H](OCc2nc(-c3cc(F)cc(C(F)(F)F)c3)oc2C)C1.COCCO.COCCOc1cc(-c2nc(CO[C@H]3CCC[C@@H](OCc4cccc(C)c4C(=O)O)C3)c(C)o2)cc(C(F)(F)F)c1.[K+].[OH-].

What is the InChIKey of potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide?

The InChIKey is FNUSETZZEPRXRR-ZBKYGTKOSA-M. The full InChI is InChI=1S/C30H34F3NO7.2C28H29F4NO5.C3H8O2.K.H2O/c1-18-6-4-7-20(27(18)29(35)36)16-39-23-8-5-9-24(15-23)40-17-26-19(2)41-28(34-26)21-12-22(30(31,32)33)14-25(13-21)38-11-10-37-3;2*1-16-6-4-7-18(25(16)27(34)35-3)14-36-22-8-5-9-23(13-22)37-15-24-17(2)38-26(33-24)19-10-20(28(30,31)32)12-21(29)11-19;1-5-3-2-4;;/h4,6-7,12-14,23-24H,5,8-11,15-17H2,1-3H3,(H,35,36);2*4,6-7,10-12,22-23H,5,8-9,13-15H2,1-3H3;4H,2-3H2,1H3;;1H2/q;;;;+1;/p-1/t23-,24+;2*22-,23+;;;/m111.../s1.

What are the key properties of potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide?

potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide has a molecular weight of 1780.86 g/mol, XLogP of 17.09, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-methoxyethanol;2-[[(1R,3S)-3-[[2-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid;bis(methyl 2-[[(1R,3S)-3-[[2-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoate);hydroxide is sourced from PubChem (CID 158088550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).