1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium

C141H165F10O15S3+ — CID 161104024

About 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium (PubChem CID 161104024) has the molecular formula C141H165F10O15S3+ and a molecular weight of 2386.04 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium
• PubChem CID: 161104024
• Molecular Formula: C141H165F10O15S3+
• Molecular Weight: 2386.04 g/mol
• Exact Mass: 2384.11
• IUPAC Name: 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium
• SMILES: CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC)C23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H20F10O2.C22H32O2.C20H17OS.C18H28O2.C18H15S.C17H18O5S.C14H22O2.C10H14O/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-4-15(2)19-5-7-20(8-6-19)24-21(23-3)22-12-16-9-17(13-22)11-18(10-16)14-22;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-3-8(2)9-4-6-10(11)7-5-9/h5-8,11H,4,9-10H2,1-3H3;5-8,15-18,21H,4,9-14H2,1-3H3;1-12,21H,13-14H2;10-15,17H,4-9H2,1-3H3;1-15H;4-12H,3H2,1-2H3,(H,19,20,21);7-12H,5-6H2,1-4H3;4-8,11H,3H2,1-2H3/q;;+1;;+1;;;/p-1
• InChIKey: UIUSJGHPDLSQMH-UHFFFAOYSA-M
• XLogP: 38.71
• TPSA: 197.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 41
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2386.04
LogP ≤ 5	38.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium?

The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium (CID 161104024) is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium.

What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium?

The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC)C23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium?

The InChIKey is UIUSJGHPDLSQMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20F10O2.C22H32O2.C20H17OS.C18H28O2.C18H15S.C17H18O5S.C14H22O2.C10H14O/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-4-15(2)19-5-7-20(8-6-19)24-21(23-3)22-12-16-9-17(13-22)11-18(10-16)14-22;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-3-8(2)9-4-6-10(11)7-5-9/h5-8,11H,4,9-10H2,1-3H3;5-8,15-18,21H,4,9-14H2,1-3H3;1-12,21H,13-14H2;10-15,17H,4-9H2,1-3H3;1-15H;4-12H,3H2,1-2H3,(H,19,20,21);7-12H,5-6H2,1-4H3;4-8,11H,3H2,1-2H3/q;;+1;;+1;;;/p-1.

What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium?

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium has a molecular weight of 2386.04 g/mol, XLogP of 38.71, 41 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium is sourced from PubChem (CID 161104024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).