[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate

C173H178Cl2N2O68S15 — CID 158065377

IUPAC[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate
SMILESCOCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C31H32O13S3.C30H30O7.2C29H29NO12S3.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-32-19-37-30-28(22-12-15-26(25(31)16-22)36-18-20-8-6-5-7-9-20)27(34-3)17-24(29(30)35-4)21-10-13-23(33-2)14-11-21;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;5-17,31H,18-19H2,1-4H3;2*6-17H,18H2,1-5H3;2*7-13,15-16H,14H2,1-6H3/b;;;;17-13+;17-13-
InChIKeyFLDUAARDAYVAAE-DBRYPJGMSA-N
MW3925.18 g/mol
LogP28.16
Rot. Bonds77

About [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate

[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate (PubChem CID 158065377) has the molecular formula C173H178Cl2N2O68S15 and a molecular weight of 3925.18 g/mol. Its IUPAC name is [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate.

Molecular Properties

Compound Name[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate
PubChem CID158065377
Molecular FormulaC173H178Cl2N2O68S15
Molecular Weight3925.18 g/mol
Exact Mass3920.57
IUPAC Name[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate
SMILESCOCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C31H32O13S3.C30H30O7.2C29H29NO12S3.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-32-19-37-30-28(22-12-15-26(25(31)16-22)36-18-20-8-6-5-7-9-20)27(34-3)17-24(29(30)35-4)21-10-13-23(33-2)14-11-21;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;5-17,31H,18-19H2,1-4H3;2*6-17H,18H2,1-5H3;2*7-13,15-16H,14H2,1-6H3/b;;;;17-13+;17-13-
InChIKeyFLDUAARDAYVAAE-DBRYPJGMSA-N
XLogP28.16
TPSA899.62 Ų
H-Bond Donors1
H-Bond Acceptors70
Rotatable Bonds77
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003925.18
LogP ≤ 528.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

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

Analyze [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate?
The IUPAC name of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate (CID 158065377) is [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate.
What is the SMILES notation for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate?
The canonical SMILES for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate is COCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1.
What is the InChIKey of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate?
The InChIKey is FLDUAARDAYVAAE-DBRYPJGMSA-N. The full InChI is InChI=1S/C31H32O13S3.C30H30O7.2C29H29NO12S3.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-32-19-37-30-28(22-12-15-26(25(31)16-22)36-18-20-8-6-5-7-9-20)27(34-3)17-24(29(30)35-4)21-10-13-23(33-2)14-11-21;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;5-17,31H,18-19H2,1-4H3;2*6-17H,18H2,1-5H3;2*7-13,15-16H,14H2,1-6H3/b;;;;17-13+;17-13-.
What are the key properties of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate?
[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate has a molecular weight of 3925.18 g/mol, XLogP of 28.16, 77 rotatable bonds, 1 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate is sourced from PubChem (CID 158065377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).