[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene

C184H196Cl2F5N5O37S5 — CID 157399278

IUPAC[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(OC)c(-c3ccc(N(C)C)cc3)cc2OC)c(F)c1.COc1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CC3)c2OS(C)(=O)=O)ccc1OCC=C(C)C.COc1cc(-c2ccc(NS(C)(=O)=O)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1.COc1cc(-c2ccc(O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1ccc(-c2cc(OC)c(-c3ccc(OCC=C(C)C)c(OC)c3)c(OC)c2OC)cc1.Cc1cc(-c2ccc(OCC=C(Cl)Cl)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C31H36O10S2.C28H32O6.C27H27FO7S.C26H25FO5.C25H24Cl2FNO.C24H27FN2O4S.C23H25FN2O4S/c1-20(2)15-16-38-26-14-11-23(17-27(26)36-3)29-28(37-4)18-25(22-9-12-24(13-10-22)40-42(5,32)33)30(39-19-21-7-8-21)31(29)41-43(6,34)35;1-18(2)14-15-34-23-13-10-20(16-24(23)30-4)26-25(31-5)17-22(27(32-6)28(26)33-7)19-8-11-21(29-3)12-9-19;1-17(2)11-12-32-23-10-7-19(15-22(23)28)25-24(31-3)16-21(26-27(25)34-14-13-33-26)18-5-8-20(9-6-18)35-36(4,29)30;1-16(2)10-11-30-22-9-6-18(14-21(22)27)24-23(29-3)15-20(17-4-7-19(28)8-5-17)25-26(24)32-13-12-31-25;1-16-14-22(19-7-10-24(23(28)15-19)30-12-11-25(26)27)17(2)13-21(16)18-5-8-20(9-6-18)29(3)4;1-6-32(28,29)26-17-9-12-19(22(25)13-17)21-15-23(30-4)20(14-24(21)31-5)16-7-10-18(11-8-16)27(2)3;1-26(2)17-9-6-15(7-10-17)19-13-23(30-4)20(14-22(19)29-3)18-11-8-16(12-21(18)24)25-31(5,27)28/h9-15,17-18,21H,7-8,16,19H2,1-6H3;8-14,16-17H,15H2,1-7H3;5-11,15-16H,12-14H2,1-4H3;4-10,14-15,28H,11-13H2,1-3H3;5-11,13-15H,12H2,1-4H3;7-15,26H,6H2,1-5H3;6-14,25H,1-5H3
InChIKeyBMYIKRCFSFTSMU-UHFFFAOYSA-N
MW3395.82 g/mol
LogP41.03
Rot. Bonds59

About [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene

[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene (PubChem CID 157399278) has the molecular formula C184H196Cl2F5N5O37S5 and a molecular weight of 3395.82 g/mol. Its IUPAC name is [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene
PubChem CID157399278
Molecular FormulaC184H196Cl2F5N5O37S5
Molecular Weight3395.82 g/mol
Exact Mass3392.15
IUPAC Name[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(OC)c(-c3ccc(N(C)C)cc3)cc2OC)c(F)c1.COc1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CC3)c2OS(C)(=O)=O)ccc1OCC=C(C)C.COc1cc(-c2ccc(NS(C)(=O)=O)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1.COc1cc(-c2ccc(O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1ccc(-c2cc(OC)c(-c3ccc(OCC=C(C)C)c(OC)c3)c(OC)c2OC)cc1.Cc1cc(-c2ccc(OCC=C(Cl)Cl)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C31H36O10S2.C28H32O6.C27H27FO7S.C26H25FO5.C25H24Cl2FNO.C24H27FN2O4S.C23H25FN2O4S/c1-20(2)15-16-38-26-14-11-23(17-27(26)36-3)29-28(37-4)18-25(22-9-12-24(13-10-22)40-42(5,32)33)30(39-19-21-7-8-21)31(29)41-43(6,34)35;1-18(2)14-15-34-23-13-10-20(16-24(23)30-4)26-25(31-5)17-22(27(32-6)28(26)33-7)19-8-11-21(29-3)12-9-19;1-17(2)11-12-32-23-10-7-19(15-22(23)28)25-24(31-3)16-21(26-27(25)34-14-13-33-26)18-5-8-20(9-6-18)35-36(4,29)30;1-16(2)10-11-30-22-9-6-18(14-21(22)27)24-23(29-3)15-20(17-4-7-19(28)8-5-17)25-26(24)32-13-12-31-25;1-16-14-22(19-7-10-24(23(28)15-19)30-12-11-25(26)27)17(2)13-21(16)18-5-8-20(9-6-18)29(3)4;1-6-32(28,29)26-17-9-12-19(22(25)13-17)21-15-23(30-4)20(14-24(21)31-5)16-7-10-18(11-8-16)27(2)3;1-26(2)17-9-6-15(7-10-17)19-13-23(30-4)20(14-22(19)29-3)18-11-8-16(12-21(18)24)25-31(5,27)28/h9-15,17-18,21H,7-8,16,19H2,1-6H3;8-14,16-17H,15H2,1-7H3;5-11,15-16H,12-14H2,1-4H3;4-10,14-15,28H,11-13H2,1-3H3;5-11,13-15H,12H2,1-4H3;7-15,26H,6H2,1-5H3;6-14,25H,1-5H3
InChIKeyBMYIKRCFSFTSMU-UHFFFAOYSA-N
XLogP41.03
TPSA464.69 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003395.82
LogP ≤ 541.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene?
The IUPAC name of [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene (CID 157399278) is [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene.
What is the SMILES notation for [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene?
The canonical SMILES for [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene is CCS(=O)(=O)Nc1ccc(-c2cc(OC)c(-c3ccc(N(C)C)cc3)cc2OC)c(F)c1.COc1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CC3)c2OS(C)(=O)=O)ccc1OCC=C(C)C.COc1cc(-c2ccc(NS(C)(=O)=O)cc2F)c(OC)cc1-c1ccc(N(C)C)cc1.COc1cc(-c2ccc(O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c2c(c1-c1ccc(OCC=C(C)C)c(F)c1)OCCO2.COc1ccc(-c2cc(OC)c(-c3ccc(OCC=C(C)C)c(OC)c3)c(OC)c2OC)cc1.Cc1cc(-c2ccc(OCC=C(Cl)Cl)c(F)c2)c(C)cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene?
The InChIKey is BMYIKRCFSFTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36O10S2.C28H32O6.C27H27FO7S.C26H25FO5.C25H24Cl2FNO.C24H27FN2O4S.C23H25FN2O4S/c1-20(2)15-16-38-26-14-11-23(17-27(26)36-3)29-28(37-4)18-25(22-9-12-24(13-10-22)40-42(5,32)33)30(39-19-21-7-8-21)31(29)41-43(6,34)35;1-18(2)14-15-34-23-13-10-20(16-24(23)30-4)26-25(31-5)17-22(27(32-6)28(26)33-7)19-8-11-21(29-3)12-9-19;1-17(2)11-12-32-23-10-7-19(15-22(23)28)25-24(31-3)16-21(26-27(25)34-14-13-33-26)18-5-8-20(9-6-18)35-36(4,29)30;1-16(2)10-11-30-22-9-6-18(14-21(22)27)24-23(29-3)15-20(17-4-7-19(28)8-5-17)25-26(24)32-13-12-31-25;1-16-14-22(19-7-10-24(23(28)15-19)30-12-11-25(26)27)17(2)13-21(16)18-5-8-20(9-6-18)29(3)4;1-6-32(28,29)26-17-9-12-19(22(25)13-17)21-15-23(30-4)20(14-24(21)31-5)16-7-10-18(11-8-16)27(2)3;1-26(2)17-9-6-15(7-10-17)19-13-23(30-4)20(14-22(19)29-3)18-11-8-16(12-21(18)24)25-31(5,27)28/h9-15,17-18,21H,7-8,16,19H2,1-6H3;8-14,16-17H,15H2,1-7H3;5-11,15-16H,12-14H2,1-4H3;4-10,14-15,28H,11-13H2,1-3H3;5-11,13-15H,12H2,1-4H3;7-15,26H,6H2,1-5H3;6-14,25H,1-5H3.
What are the key properties of [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene?
[4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene has a molecular weight of 3395.82 g/mol, XLogP of 41.03, 59 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopropylmethoxy)-5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;4-[4-[4-(3,3-dichloroprop-2-enoxy)-3-fluorophenyl]-2,5-dimethylphenyl]-N,N-dimethylaniline;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]ethanesulfonamide;N-[4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-3-fluorophenyl]methanesulfonamide;4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenol;[4-[5-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate;1,3,4-trimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-methoxyphenyl)benzene is sourced from PubChem (CID 157399278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).