1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium

C142H184F6O18S4 — CID 160547685

About 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium

1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium (PubChem CID 160547685) has the molecular formula C142H184F6O18S4 and a molecular weight of 2421.27 g/mol. Its IUPAC name is 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium.

Molecular Properties

• Compound Name: 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium
• PubChem CID: 160547685
• Molecular Formula: C142H184F6O18S4
• Molecular Weight: 2421.27 g/mol
• Exact Mass: 2419.23
• IUPAC Name: 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCOC(CC1(C2CCCCC2)CCCCC1)Oc1ccc(CC)cc1.CCc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCc1ccc(O)cc1.CCc1ccc(O)cc1.CCc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1.CCc1ccc(OC(=O)C2C3CC4CC(C3)CC2C4)cc1.CCc1ccc(OC(CC2(C)CCCCC2)OCCC2CCCCC2)cc1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H40O2.C24H38O2.C20H29OS.C20H19OS.C19H24O2.C10H10F2O5S.C8H6F4O3S.2C8H10O/c1-3-21-12-14-23(15-13-21)27-24(20-25(2)17-8-5-9-18-25)26-19-16-22-10-6-4-7-11-22;1-3-20-13-15-22(16-14-20)26-23(25-4-2)19-24(17-9-6-10-18-24)21-11-7-5-8-12-21;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-2-12-3-5-17(6-4-12)21-19(20)18-15-8-13-7-14(10-15)11-16(18)9-13;1-2-7-3-5-8(6-4-7)17-9(13)10(11,12)18(14,15)16;1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10;2*1-2-7-3-5-8(9)6-4-7/h12-15,22,24H,3-11,16-20H2,1-2H3;13-16,21,23H,3-12,17-19H2,1-2H3;10-13,16H,3-9,14-15H2,1-2H3;1-14,21H,15-16H2;3-6,13-16,18H,2,7-11H2,1H3;3-6H,2H2,1H3,(H,14,15,16);2H2,1H3,(H,13,14,15);2*3-6,9H,2H2,1H3/q;;2*+1;;;;;/p-2
• InChIKey: QXQKMAVWNIWPRM-UHFFFAOYSA-L
• XLogP: 34.78
• TPSA: 281.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.27
LogP ≤ 5	34.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium?

The IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium (CID 160547685) is 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium.

What is the SMILES notation for 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium?

The canonical SMILES for 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCOC(CC1(C2CCCCC2)CCCCC1)Oc1ccc(CC)cc1.CCc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCc1ccc(O)cc1.CCc1ccc(O)cc1.CCc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1.CCc1ccc(OC(=O)C2C3CC4CC(C3)CC2C4)cc1.CCc1ccc(OC(CC2(C)CCCCC2)OCCC2CCCCC2)cc1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium?

The InChIKey is QXQKMAVWNIWPRM-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H40O2.C24H38O2.C20H29OS.C20H19OS.C19H24O2.C10H10F2O5S.C8H6F4O3S.2C8H10O/c1-3-21-12-14-23(15-13-21)27-24(20-25(2)17-8-5-9-18-25)26-19-16-22-10-6-4-7-11-22;1-3-20-13-15-22(16-14-20)26-23(25-4-2)19-24(17-9-6-10-18-24)21-11-7-5-8-12-21;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-2-12-3-5-17(6-4-12)21-19(20)18-15-8-13-7-14(10-15)11-16(18)9-13;1-2-7-3-5-8(6-4-7)17-9(13)10(11,12)18(14,15)16;1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10;2*1-2-7-3-5-8(9)6-4-7/h12-15,22,24H,3-11,16-20H2,1-2H3;13-16,21,23H,3-12,17-19H2,1-2H3;10-13,16H,3-9,14-15H2,1-2H3;1-14,21H,15-16H2;3-6,13-16,18H,2,7-11H2,1H3;3-6H,2H2,1H3,(H,14,15,16);2H2,1H3,(H,13,14,15);2*3-6,9H,2H2,1H3/q;;2*+1;;;;;/p-2.

What are the key properties of 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium?

1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium has a molecular weight of 2421.27 g/mol, XLogP of 34.78, 37 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium is sourced from PubChem (CID 160547685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).