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

C176H222F6N10O18S — CID 160514310

IUPAC4-[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
SMILESCC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(S(C)(=O)=O)cc3C2)ccc1O.CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1.CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O
InChIInChI=1S/C25H33N3O2.C24H33NO4S.C23H29NO4.2C22H28FNO2.C21H26FNO2.C20H24FNO2.C19H21F2N/c1-18-15-19(7-8-23(18)29)9-10-25(2,3)28-16-20-5-4-6-21(22(20)17-28)24(30)27-13-11-26-12-14-27;1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25;1-15(2)28-20-9-16(5-6-19(20)25)7-8-23(3,4)24-12-17-10-21-22(27-14-26-21)11-18(17)13-24;1-15(2)26-21-11-16(5-8-20(21)25)9-10-22(3,4)24-13-17-6-7-19(23)12-18(17)14-24;1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24;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(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22;1-19(2,11-10-14-6-8-16(20)9-7-14)22-12-15-4-3-5-18(21)17(15)13-22/h4-8,15,26,29H,9-14,16-17H2,1-3H3;7-10,13-14,26H,11-12,15-16H2,1-6H3;5-6,9-11,15,25H,7-8,12-14H2,1-4H3;5-8,11-12,15,25H,9-10,13-14H2,1-4H3;5-9,12,15,25H,10-11,13-14H2,1-4H3;5-8,11-12H,9-10,13-14H2,1-4H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-9H,10-13H2,1-2H3
InChIKeyQTLGFKMKJJVMCK-UHFFFAOYSA-N
MW2911.82 g/mol
LogP36.43
Rot. Bonds44

About 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

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 (PubChem CID 160514310) has the molecular formula C176H222F6N10O18S and a molecular weight of 2911.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160514310
Molecular FormulaC176H222F6N10O18S
Molecular Weight2911.82 g/mol
Exact Mass2909.64
IUPAC Name4-[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
SMILESCC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(S(C)(=O)=O)cc3C2)ccc1O.CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1.CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O
InChIInChI=1S/C25H33N3O2.C24H33NO4S.C23H29NO4.2C22H28FNO2.C21H26FNO2.C20H24FNO2.C19H21F2N/c1-18-15-19(7-8-23(18)29)9-10-25(2,3)28-16-20-5-4-6-21(22(20)17-28)24(30)27-13-11-26-12-14-27;1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25;1-15(2)28-20-9-16(5-6-19(20)25)7-8-23(3,4)24-12-17-10-21-22(27-14-26-21)11-18(17)13-24;1-15(2)26-21-11-16(5-8-20(21)25)9-10-22(3,4)24-13-17-6-7-19(23)12-18(17)14-24;1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24;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(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22;1-19(2,11-10-14-6-8-16(20)9-7-14)22-12-15-4-3-5-18(21)17(15)13-22/h4-8,15,26,29H,9-14,16-17H2,1-3H3;7-10,13-14,26H,11-12,15-16H2,1-6H3;5-6,9-11,15,25H,7-8,12-14H2,1-4H3;5-8,11-12,15,25H,9-10,13-14H2,1-4H3;5-9,12,15,25H,10-11,13-14H2,1-4H3;5-8,11-12H,9-10,13-14H2,1-4H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-9H,10-13H2,1-2H3
InChIKeyQTLGFKMKJJVMCK-UHFFFAOYSA-N
XLogP36.43
TPSA296.85 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002911.82
LogP ≤ 536.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
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
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-morpholin-4-ylmethanone;[2-(hydroxymethyl)-4-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol;2-[4-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-methylbutan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol;[4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenyl] acetate;[3-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol;[4-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol
CID 161346224
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone
CID 118278079
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone;methane
CID 162193579
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
1,2-bis(bromomethyl)-4-methylsulfonylbenzene;2-[2-methyl-4-[4-methyl-3-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
CID 157215805
prop-2-enyl 4-[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole-4-carbonyl]piperazine-1-carboxylate
CID 142475202
2-[4-[4-hydroxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-2-methylbutan-2-yl]-N,N-dimethyl-1,3-dihydroisoindole-4-carboxamide
CID 118282980
4-[3-[5-(benzenesulfonyl)-1,3-dihydroisoindol-2-yl]-3-methylbutyl]-2-methoxyphenol
CID 118282999
2-[2-methyl-1-[4-[3-methyl-3-(4-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-(trifluoromethoxy)phenoxy]propan-2-yl]oxy-4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]phenol
CID 139304944
2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-N-(2-methoxyethyl)-1,3-dihydroisoindole-4-carboxamide
CID 118283024

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(S(C)(=O)=O)cc3C2)ccc1O.CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1.CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O.CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O.COc1cc2c(cc1OC)CN(C(C)(C)CCc1ccc(F)cc1)C2.Cc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O.
What is the InChIKey of 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?
The InChIKey is QTLGFKMKJJVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2.C24H33NO4S.C23H29NO4.2C22H28FNO2.C21H26FNO2.C20H24FNO2.C19H21F2N/c1-18-15-19(7-8-23(18)29)9-10-25(2,3)28-16-20-5-4-6-21(22(20)17-28)24(30)27-13-11-26-12-14-27;1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25;1-15(2)28-20-9-16(5-6-19(20)25)7-8-23(3,4)24-12-17-10-21-22(27-14-26-21)11-18(17)13-24;1-15(2)26-21-11-16(5-8-20(21)25)9-10-22(3,4)24-13-17-6-7-19(23)12-18(17)14-24;1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24;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(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22;1-19(2,11-10-14-6-8-16(20)9-7-14)22-12-15-4-3-5-18(21)17(15)13-22/h4-8,15,26,29H,9-14,16-17H2,1-3H3;7-10,13-14,26H,11-12,15-16H2,1-6H3;5-6,9-11,15,25H,7-8,12-14H2,1-4H3;5-8,11-12,15,25H,9-10,13-14H2,1-4H3;5-9,12,15,25H,10-11,13-14H2,1-4H3;5-8,11-12H,9-10,13-14H2,1-4H3;4-8,11,23H,9-10,12-13H2,1-3H3;3-9H,10-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2911.82 g/mol, XLogP of 36.43, 44 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160514310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).