[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid

C143H138B2F8O36S5 — CID 158814890

About [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid

[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid (PubChem CID 158814890) has the molecular formula C143H138B2F8O36S5 and a molecular weight of 2766.58 g/mol. Its IUPAC name is [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid.

Molecular Properties

• Compound Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid
• PubChem CID: 158814890
• Molecular Formula: C143H138B2F8O36S5
• Molecular Weight: 2766.58 g/mol
• Exact Mass: 2764.76
• IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid
• SMILES: COc1cc(-c2cc(C)c(B(O)O)cc2C)ccc1OCc1ccccc1.COc1cc(-c2cc(OC)c(OS(=O)(=O)C(F)(F)F)cc2C)ccc1OCc1ccccc1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1OS(=O)(=O)C(F)(F)F.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1B(O)O
• InChI: InChI=1S/C30H30O12S3.C25H26O6.C23H21F3O6S.C22H23BO4.C22H18F4O5S.C21H20BFO3/c1-37-27-18-24(21-11-14-23(15-12-21)40-43(3,31)32)29(38-2)30(42-45(5,35)36)28(27)22-13-16-25(26(17-22)41-44(4,33)34)39-19-20-9-7-6-8-10-20;1-15(2)11-12-31-21-10-7-17(13-20(21)27)23-22(29-3)14-19(25(30-4)24(23)28)16-5-8-18(26)9-6-16;1-15-11-22(32-33(27,28)23(24,25)26)21(30-3)13-18(15)17-9-10-19(20(12-17)29-2)31-14-16-7-5-4-6-8-16;1-15-12-20(23(24)25)16(2)11-19(15)18-9-10-21(22(13-18)26-3)27-14-17-7-5-4-6-8-17;1-14-10-21(31-32(27,28)22(24,25)26)20(29-2)12-17(14)16-8-9-19(18(23)11-16)30-13-15-6-4-3-5-7-15;1-14-11-19(22(24)25)15(2)10-18(14)17-8-9-21(20(23)12-17)26-13-16-6-4-3-5-7-16/h6-18H,19H2,1-5H3;5-11,13-14,26-28H,12H2,1-4H3;4-13H,14H2,1-3H3;4-13,24-25H,14H2,1-3H3;3-12H,13H2,1-2H3;3-12,24-25H,13H2,1-2H3
• InChIKey: IVDHYTQCNYYLCL-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 487.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 46
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.58
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid?

The IUPAC name of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid (CID 158814890) is [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid.

What is the SMILES notation for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid?

The canonical SMILES for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid is COc1cc(-c2cc(C)c(B(O)O)cc2C)ccc1OCc1ccccc1.COc1cc(-c2cc(OC)c(OS(=O)(=O)C(F)(F)F)cc2C)ccc1OCc1ccccc1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1OS(=O)(=O)C(F)(F)F.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C)cc1B(O)O.

What is the InChIKey of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid?

The InChIKey is IVDHYTQCNYYLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O12S3.C25H26O6.C23H21F3O6S.C22H23BO4.C22H18F4O5S.C21H20BFO3/c1-37-27-18-24(21-11-14-23(15-12-21)40-43(3,31)32)29(38-2)30(42-45(5,35)36)28(27)22-13-16-25(26(17-22)41-44(4,33)34)39-19-20-9-7-6-8-10-20;1-15(2)11-12-31-21-10-7-17(13-20(21)27)23-22(29-3)14-19(25(30-4)24(23)28)16-5-8-18(26)9-6-16;1-15-11-22(32-33(27,28)23(24,25)26)21(30-3)13-18(15)17-9-10-19(20(12-17)29-2)31-14-16-7-5-4-6-8-16;1-15-12-20(23(24)25)16(2)11-19(15)18-9-10-21(22(13-18)26-3)27-14-17-7-5-4-6-8-17;1-14-10-21(31-32(27,28)22(24,25)26)20(29-2)12-17(14)16-8-9-19(18(23)11-16)30-13-15-6-4-3-5-7-15;1-14-11-19(22(24)25)15(2)10-18(14)17-8-9-21(20(23)12-17)26-13-16-6-4-3-5-7-16/h6-18H,19H2,1-5H3;5-11,13-14,26-28H,12H2,1-4H3;4-13H,14H2,1-3H3;4-13,24-25H,14H2,1-3H3;3-12H,13H2,1-2H3;3-12,24-25H,13H2,1-2H3.

What are the key properties of [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid?

[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid has a molecular weight of 2766.58 g/mol, XLogP of 27.84, 46 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-(3-fluoro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid;[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methylphenyl] trifluoromethanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[2-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-5-methylphenyl] trifluoromethanesulfonate;[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]boronic acid is sourced from PubChem (CID 158814890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).