2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole

C173H216F8N8O18 — CID 161312102

IUPAC2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3.CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1.CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C.COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(OCCO)c(OC)c1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C25H34FNO2.C24H33NO5.2C22H28FNO3.C21H26FNO2.C20H22FNO2.C20H24FNO.C19H21F2N/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27;1-24(2,9-8-17-6-7-20(30-11-10-26)21(12-17)27-3)25-15-18-13-22(28-4)23(29-5)14-19(18)16-25;1-22(2,24-14-17-5-6-19(23)13-18(17)15-24)9-8-16-4-7-20(27-11-10-25)21(12-16)26-3;1-22(2,24-14-17-5-4-6-19(23)18(17)15-24)10-9-16-7-8-20(27-12-11-25)21(13-16)26-3;1-21(2,10-9-15-5-7-18(22)8-6-15)23-13-16-11-19(24-3)20(25-4)12-17(16)14-23;1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22;1-14-11-15(7-8-19(14)23)9-10-20(2,3)22-12-16-5-4-6-18(21)17(16)13-22;1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3;6-7,12-14,26H,8-11,15-16H2,1-5H3;4-7,12-13,25H,8-11,14-15H2,1-3H3;4-8,13,25H,9-12,14-15H2,1-3H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-6,9-10H,7-8,11-13H2,1-2H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-8,11H,9-10,12-13H2,1-2H3
InChIKeyVJAKCRYSJGLEPX-UHFFFAOYSA-N
MW2847.65 g/mol
LogP35.91
Rot. Bonds52

About 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole

2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole (PubChem CID 161312102) has the molecular formula C173H216F8N8O18 and a molecular weight of 2847.65 g/mol. Its IUPAC name is 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole
PubChem CID161312102
Molecular FormulaC173H216F8N8O18
Molecular Weight2847.65 g/mol
Exact Mass2845.61
IUPAC Name2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3.CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1.CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C.COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(OCCO)c(OC)c1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C25H34FNO2.C24H33NO5.2C22H28FNO3.C21H26FNO2.C20H22FNO2.C20H24FNO.C19H21F2N/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27;1-24(2,9-8-17-6-7-20(30-11-10-26)21(12-17)27-3)25-15-18-13-22(28-4)23(29-5)14-19(18)16-25;1-22(2,24-14-17-5-6-19(23)13-18(17)15-24)9-8-16-4-7-20(27-11-10-25)21(12-16)26-3;1-22(2,24-14-17-5-4-6-19(23)18(17)15-24)10-9-16-7-8-20(27-12-11-25)21(13-16)26-3;1-21(2,10-9-15-5-7-18(22)8-6-15)23-13-16-11-19(24-3)20(25-4)12-17(16)14-23;1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22;1-14-11-15(7-8-19(14)23)9-10-20(2,3)22-12-16-5-4-6-18(21)17(16)13-22;1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3;6-7,12-14,26H,8-11,15-16H2,1-5H3;4-7,12-13,25H,8-11,14-15H2,1-3H3;4-8,13,25H,9-12,14-15H2,1-3H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-6,9-10H,7-8,11-13H2,1-2H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-8,11H,9-10,12-13H2,1-2H3
InChIKeyVJAKCRYSJGLEPX-UHFFFAOYSA-N
XLogP35.91
TPSA236.06 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds52
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002847.65
LogP ≤ 535.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole with MolForge

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Related Compounds

2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenyl] N,N-dimethylcarbamate;[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenyl] N,N-dimethylcarbamate;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 160546139
4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-3-methylbutyl]-2-propan-2-yloxyphenol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-propan-2-yloxyphenol;4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-propan-2-yloxyphenol;4-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole;[2-[4-(4-hydroxy-3-methylphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone;4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
CID 160514310
2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 162310143
4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenol;[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenyl] N,N-dimethylcarbamate;[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 159082266
2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
CID 123185299
2-chloro-4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]phenol
CID 118282814
2-methoxy-4-[3-methyl-3-[4-[methyl(methylidene)-λ4-sulfanyl]-1,3-dihydroisoindol-2-yl]butyl]phenol
CID 165134934
2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-N-(2-methoxyethyl)-1,3-dihydroisoindole-4-carboxamide
CID 118283024
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone
CID 118278079
2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162308369
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone;methane
CID 162193579
4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
CID 123497705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole?
The IUPAC name of 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole (CID 161312102) is 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole is CC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3.CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1.CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C.COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(OCCO)c(OC)c1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.
What is the InChIKey of 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole?
The InChIKey is VJAKCRYSJGLEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2.C24H33NO5.2C22H28FNO3.C21H26FNO2.C20H22FNO2.C20H24FNO.C19H21F2N/c1-17(2)28-23-10-7-19(13-24(23)29-18(3)4)11-12-25(5,6)27-15-20-8-9-22(26)14-21(20)16-27;1-24(2,9-8-17-6-7-20(30-11-10-26)21(12-17)27-3)25-15-18-13-22(28-4)23(29-5)14-19(18)16-25;1-22(2,24-14-17-5-6-19(23)13-18(17)15-24)9-8-16-4-7-20(27-11-10-25)21(12-16)26-3;1-22(2,24-14-17-5-4-6-19(23)18(17)15-24)10-9-16-7-8-20(27-12-11-25)21(13-16)26-3;1-21(2,10-9-15-5-7-18(22)8-6-15)23-13-16-11-19(24-3)20(25-4)12-17(16)14-23;1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22;1-14-11-15(7-8-19(14)23)9-10-20(2,3)22-12-16-5-4-6-18(21)17(16)13-22;1-19(2,10-9-14-3-6-17(20)7-4-14)22-12-15-5-8-18(21)11-16(15)13-22/h7-10,13-14,17-18H,11-12,15-16H2,1-6H3;6-7,12-14,26H,8-11,15-16H2,1-5H3;4-7,12-13,25H,8-11,14-15H2,1-3H3;4-8,13,25H,9-12,14-15H2,1-3H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-6,9-10H,7-8,11-13H2,1-2H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole?
2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole has a molecular weight of 2847.65 g/mol, XLogP of 35.91, 52 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole is sourced from PubChem (CID 161312102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).