4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate

C86H90F12O21S5 — CID 160819223

About 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate

4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate (PubChem CID 160819223) has the molecular formula C86H90F12O21S5 and a molecular weight of 1847.96 g/mol. Its IUPAC name is 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate
• PubChem CID: 160819223
• Molecular Formula: C86H90F12O21S5
• Molecular Weight: 1847.96 g/mol
• Exact Mass: 1846.44
• IUPAC Name: 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate
• SMILES: COC(=O)COCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.CO[C@@H](O)COCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C41H42F6O10S2.C27H18F6O2S2.C18H30O9S/c1-25-31(21-33(58-25)27-5-9-29(10-6-27)56-19-17-52-13-15-54-23-35(48)50-3)37-38(40(44,45)41(46,47)39(37,42)43)32-22-34(59-26(32)2)28-7-11-30(12-8-28)57-20-18-53-14-16-55-24-36(49)51-4;1-13-19(11-21(36-13)15-3-7-17(34)8-4-15)23-24(26(30,31)27(32,33)25(23,28)29)20-12-22(37-14(20)2)16-5-9-18(35)10-6-16;1-16-3-5-17(6-4-16)28(20,21)27-14-13-25-10-9-23-7-8-24-11-12-26-15-18(19)22-2/h5-12,21-22H,13-20,23-24H2,1-4H3;3-12,34-35H,1-2H3;3-6,18-19H,7-15H2,1-2H3/t;;18-/m..1/s1
• InChIKey: SFHUFRFICMLNPK-WIOFRLMBSA-N
• XLogP: 18.49
• TPSA: 258.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.96
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The IUPAC name of 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate (CID 160819223) is 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate is COC(=O)COCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.CO[C@@H](O)COCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The InChIKey is SFHUFRFICMLNPK-WIOFRLMBSA-N. The full InChI is InChI=1S/C41H42F6O10S2.C27H18F6O2S2.C18H30O9S/c1-25-31(21-33(58-25)27-5-9-29(10-6-27)56-19-17-52-13-15-54-23-35(48)50-3)37-38(40(44,45)41(46,47)39(37,42)43)32-22-34(59-26(32)2)28-7-11-30(12-8-28)57-20-18-53-14-16-55-24-36(49)51-4;1-13-19(11-21(36-13)15-3-7-17(34)8-4-15)23-24(26(30,31)27(32,33)25(23,28)29)20-12-22(37-14(20)2)16-5-9-18(35)10-6-16;1-16-3-5-17(6-4-16)28(20,21)27-14-13-25-10-9-23-7-8-24-11-12-26-15-18(19)22-2/h5-12,21-22H,13-20,23-24H2,1-4H3;3-12,34-35H,1-2H3;3-6,18-19H,7-15H2,1-2H3/t;;18-/m..1/s1.

What are the key properties of 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate has a molecular weight of 1847.96 g/mol, XLogP of 18.49, 43 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[2-[(2R)-2-hydroxy-2-methoxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 160819223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).