[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol

C170H170N2O47S8 — CID 157310774

About [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol

[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (PubChem CID 157310774) has the molecular formula C170H170N2O47S8 and a molecular weight of 3249.73 g/mol. Its IUPAC name is [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.

Molecular Properties

• Compound Name: [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
• PubChem CID: 157310774
• Molecular Formula: C170H170N2O47S8
• Molecular Weight: 3249.73 g/mol
• Exact Mass: 3246.87
• IUPAC Name: [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
• SMILES: CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1OS(C)(=O)=O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCCC=C(C)C)c(C(=O)O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCc2ccccn2)c(C(=O)O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccn2S(=O)(=O)c2ccc(C)cc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1
• InChI: InChI=1S/C35H35NO14S4.C29H28O7S2.C27H23NO8.C27H28O8.C27H30O7S2.C25H26O3/c1-23-9-16-28(17-10-23)54(43,44)36-19-7-8-26(36)22-47-30-18-13-25(20-31(30)49-52(5,39)40)33-32(45-2)21-29(34(46-3)35(33)50-53(6,41)42)24-11-14-27(15-12-24)48-51(4,37)38;1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)35-37(3,30)31)24-12-15-28(29(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22;1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17;1-15(2)6-5-11-35-25-20(27(31)32)12-17(13-21(25)29)23-22(33-3)14-19(26(34-4)24(23)30)16-7-9-18(28)10-8-16;1-18(2)13-14-32-26-12-9-22(17-27(26)34-36(6,30)31)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)33-35(5,28)29;1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h7-21H,22H2,1-6H3;5-18H,19H2,1-4H3;3-13,29-31H,14H2,1-2H3,(H,32,33);6-10,12-14,28-30H,5,11H2,1-4H3,(H,31,32);7-13,15-17H,14H2,1-6H3;5-11,13-15,26-27H,12H2,1-4H3
• InChIKey: BDAADPKICKTASX-UHFFFAOYSA-N
• XLogP: 33.34
• TPSA: 702.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 47
• Rotatable Bonds: 55
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3249.73
LogP ≤ 5	33.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?

The IUPAC name of [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (CID 157310774) is [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.

What is the SMILES notation for [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?

The canonical SMILES for [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1OS(C)(=O)=O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCCC=C(C)C)c(C(=O)O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(OCc2ccccn2)c(C(=O)O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccn2S(=O)(=O)c2ccc(C)cc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.

What is the InChIKey of [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?

The InChIKey is BDAADPKICKTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NO14S4.C29H28O7S2.C27H23NO8.C27H28O8.C27H30O7S2.C25H26O3/c1-23-9-16-28(17-10-23)54(43,44)36-19-7-8-26(36)22-47-30-18-13-25(20-31(30)49-52(5,39)40)33-32(45-2)21-29(34(46-3)35(33)50-53(6,41)42)24-11-14-27(15-12-24)48-51(4,37)38;1-20-17-27(21(2)16-26(20)23-10-13-25(14-11-23)35-37(3,30)31)24-12-15-28(29(18-24)36-38(4,32)33)34-19-22-8-6-5-7-9-22;1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17;1-15(2)6-5-11-35-25-20(27(31)32)12-17(13-21(25)29)23-22(33-3)14-19(26(34-4)24(23)30)16-7-9-18(28)10-8-16;1-18(2)13-14-32-26-12-9-22(17-27(26)34-36(6,30)31)25-16-19(3)24(15-20(25)4)21-7-10-23(11-8-21)33-35(5,28)29;1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h7-21H,22H2,1-6H3;5-18H,19H2,1-4H3;3-13,29-31H,14H2,1-2H3,(H,32,33);6-10,12-14,28-30H,5,11H2,1-4H3,(H,31,32);7-13,15-17H,14H2,1-6H3;5-11,13-15,26-27H,12H2,1-4H3.

What are the key properties of [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?

[4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol has a molecular weight of 3249.73 g/mol, XLogP of 33.34, 55 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,5-dimethoxy-4-[4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enoxy)benzoic acid;3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid;5-[4-(4-hydroxyphenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is sourced from PubChem (CID 157310774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).