1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium

C147H177F10NO22S5 — CID 159467754

About 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium

1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium (PubChem CID 159467754) has the molecular formula C147H177F10NO22S5 and a molecular weight of 2660.33 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium
• PubChem CID: 159467754
• Molecular Formula: C147H177F10NO22S5
• Molecular Weight: 2660.33 g/mol
• Exact Mass: 2658.12
• IUPAC Name: 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OCCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C25H42O2.C20H32O2.C18H13OS.C18H15S.C16H14F4O4S.C15H19NO4.C13H14F6O5S2.C12H16O3.C10H14O/c1-6-20(2)22-14-16-23(17-15-22)27-24(19-25(3,4)5)26-18-10-13-21-11-8-7-9-12-21;1-5-16(4)17-11-13-19(14-12-17)22-20(15(2)3)21-18-9-7-6-8-10-18;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-8(2)9-4-6-10(7-5-9)25(20,21)12(16,17)11(14,15)13(18,19)26(22,23)24;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-3-8(2)9-4-6-10(11)7-5-9/h14-17,20-21,24H,6-13,18-19H2,1-5H3;11-16,18,20H,5-10H2,1-4H3;1-13H;1-15H;4-8H,3H2,1-2H3,(H,21,22,23);8-11H,4-6H2,1-3H3;4-8H,3H2,1-2H3,(H,22,23,24);5-8,13H,4H2,1-3H3;4-8,11H,3H2,1-2H3/q;;2*+1;;;;;/p-2
• InChIKey: LVKFFUAFOVGWQS-UHFFFAOYSA-L
• XLogP: 38.54
• TPSA: 347.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.33
LogP ≤ 5	38.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium?

The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium (CID 159467754) is 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium.

What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium?

The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium is CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OCCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium?

The InChIKey is LVKFFUAFOVGWQS-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H42O2.C20H32O2.C18H13OS.C18H15S.C16H14F4O4S.C15H19NO4.C13H14F6O5S2.C12H16O3.C10H14O/c1-6-20(2)22-14-16-23(17-15-22)27-24(19-25(3,4)5)26-18-10-13-21-11-8-7-9-12-21;1-5-16(4)17-11-13-19(14-12-17)22-20(15(2)3)21-18-9-7-6-8-10-18;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-8(2)9-4-6-10(7-5-9)25(20,21)12(16,17)11(14,15)13(18,19)26(22,23)24;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-3-8(2)9-4-6-10(11)7-5-9/h14-17,20-21,24H,6-13,18-19H2,1-5H3;11-16,18,20H,5-10H2,1-4H3;1-13H;1-15H;4-8H,3H2,1-2H3,(H,21,22,23);8-11H,4-6H2,1-3H3;4-8H,3H2,1-2H3,(H,22,23,24);5-8,13H,4H2,1-3H3;4-8,11H,3H2,1-2H3/q;;2*+1;;;;;/p-2.

What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium?

1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium has a molecular weight of 2660.33 g/mol, XLogP of 38.54, 41 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-(3-cyclohexylpropoxy)-3,3-dimethylbutoxy]benzene;4-butan-2-ylphenol;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenyl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;triphenylsulfanium is sourced from PubChem (CID 159467754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).