About 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol
2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol (PubChem CID 158582131) has the molecular formula C188H188N2O50S13
and a molecular weight of 3692.41 g/mol. Its IUPAC name is 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol.
Frequently Asked Questions
What is the IUPAC name of 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol?
The IUPAC name of 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol (CID 158582131) is 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol?
The canonical SMILES for 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(S(=O)(=O)CC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(S(=O)CC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(SC(C)(C)C)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(SCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(SCc2ccccn2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(SCc2ccc(C)cc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(SCc2ccccn2)c(OS(C)(=O)=O)c1.
What is the InChIKey of 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol?
The InChIKey is HTJNTAXPPXCSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O11S4.C29H29NO11S4.C28H26O5S.C26H23NO5S.C25H26O7S.C25H26O6S.C24H26O5S/c1-20-7-9-21(10-8-20)19-43-28-16-13-23(17-26(28)41-45(5,34)35)29-27(38-2)18-25(30(39-3)31(29)42-46(6,36)37)22-11-14-24(15-12-22)40-44(4,32)33;1-37-25-17-23(19-9-12-22(13-10-19)39-43(3,31)32)28(38-2)29(41-45(5,35)36)27(25)20-11-14-26(24(16-20)40-44(4,33)34)42-18-21-8-6-7-15-30-21;1-17-4-6-18(7-5-17)16-34-25-13-10-20(14-23(25)30)26-24(32-2)15-22(28(33-3)27(26)31)19-8-11-21(29)12-9-19;1-31-22-14-20(16-6-9-19(28)10-7-16)26(32-2)25(30)24(22)17-8-11-23(21(29)13-17)33-15-18-5-3-4-12-27-18;1-15(2)11-12-33(29,30)22-10-7-17(13-20(22)27)23-21(31-3)14-19(25(32-4)24(23)28)16-5-8-18(26)9-6-16;1-15(2)11-12-32(29)22-10-7-17(13-20(22)27)23-21(30-3)14-19(25(31-4)24(23)28)16-5-8-18(26)9-6-16;1-24(2,3)30-20-11-8-15(12-18(20)26)21-19(28-4)13-17(23(29-5)22(21)27)14-6-9-16(25)10-7-14/h7-18H,19H2,1-6H3;6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;3-14,28-30H,15H2,1-2H3;5-11,13-14,26-28H,12H2,1-4H3;5-11,13-14,26-28H,12H2,1-4H3;6-13,25-27H,1-5H3.
What are the key properties of 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol?
2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol has a molecular weight of 3692.41 g/mol, XLogP of 39.16, 59 rotatable bonds, 15 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylsulfanyl-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methylsulfanyl]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enylsulfinyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-(3-methylbut-2-enylsulfonyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methylsulfanyl]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethylsulfanyl)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 158582131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).