1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene

C195H283F4NO29S11 — CID 157177395

IUPAC1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)c(F)c1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)c(C#N)c1.CC(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1OCCCO.Cc1cc(C(C)C)ccc1O.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C
InChIInChI=1S/C14H20O.C13H17NO2S.C13H20O3.5C13H20O2S.C12H17FO.C12H16O2S.C12H18O2S.C12H18O.2C11H16O2S.C10H11F3O2S.C10H14O/c1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)11-5-6-13(12(7-11)8-14)17(15,16)10(3)4;1-10(2)11-5-6-12(13(9-11)15-3)16-8-4-7-14;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)13-7-6-12(8-11(13)5)16(14,15)10(3)4;1-9(2)12-6-7-13(11(5)8-12)16(14,15)10(3)4;2*1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-8(2)9-5-6-10(11(13)7-9)12(3,4)14;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9/h5-8,11,15H,3-4,9-10H2,1-2H3;5-7,9-10H,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;3*6-10H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-8,14H,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-9,13H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3
InChIKeyAOECRMOXXAGZIC-UHFFFAOYSA-N
MW3534.12 g/mol
LogP48.40
Rot. Bonds45

About 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene

1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene (PubChem CID 157177395) has the molecular formula C195H283F4NO29S11 and a molecular weight of 3534.12 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene.

Molecular Properties

Compound Name1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene
PubChem CID157177395
Molecular FormulaC195H283F4NO29S11
Molecular Weight3534.12 g/mol
Exact Mass3530.76
IUPAC Name1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)c(F)c1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)c(C#N)c1.CC(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1OCCCO.Cc1cc(C(C)C)ccc1O.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C
InChIInChI=1S/C14H20O.C13H17NO2S.C13H20O3.5C13H20O2S.C12H17FO.C12H16O2S.C12H18O2S.C12H18O.2C11H16O2S.C10H11F3O2S.C10H14O/c1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)11-5-6-13(12(7-11)8-14)17(15,16)10(3)4;1-10(2)11-5-6-12(13(9-11)15-3)16-8-4-7-14;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)13-7-6-12(8-11(13)5)16(14,15)10(3)4;1-9(2)12-6-7-13(11(5)8-12)16(14,15)10(3)4;2*1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-8(2)9-5-6-10(11(13)7-9)12(3,4)14;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9/h5-8,11,15H,3-4,9-10H2,1-2H3;5-7,9-10H,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;3*6-10H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-8,14H,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-9,13H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3
InChIKeyAOECRMOXXAGZIC-UHFFFAOYSA-N
XLogP48.40
TPSA518.94 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003534.12
LogP ≤ 548.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene with MolForge

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Related Compounds

1,2-Diethoxy-4-methylbenzene;1,3-diethoxy-5-methylbenzene;1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2,4-dimethyl-1-propan-2-ylsulfonylbenzene;2,4-dimethyl-1-[2-(trifluoromethoxy)ethoxy]benzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-1-methyl-4-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;4-methoxy-1-methyl-2-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;(5-methyl-2-propan-2-yloxyphenyl)methanol
CID 157364961
1-Tert-butylsulfonyl-4-methylbenzene;1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2,4-dimethyl-1-[2-(trifluoromethoxy)ethoxy]benzene;1-fluoro-4-methoxy-5-(2-methoxyethoxy)-2-methylbenzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;3-(2-methoxy-4-methylphenoxy)propan-1-ol;3-(2-methoxy-4-methylphenyl)oxetan-3-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene;1-methyl-4-(2-methylpropylsulfonyl)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane
CID 157619707
1-cyclopentyloxy-2-methoxy-4-methylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenoxy]ethanamine;2-ethoxy-1-fluoro-3-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-3-propan-2-yloxybenzene;4-methyl-1-(3-methylbutoxy)-2-methylsulfonylbenzene;2-methyl-1-(4-propan-2-ylphenyl)propan-1-ol;2-methyl-1-(4-propan-2-ylphenyl)propan-2-ol;1-methylsulfinyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 157765659
1-Tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-(cyclopropylmethylsulfonyl)-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;1-methoxy-2-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157994425
1-Cyclopropylsulfonyl-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;1-fluoro-3-methoxy-5-propan-2-yl-2-propan-2-yloxybenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-[2-(trifluoromethoxy)ethoxy]benzene;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 158130628
1-Cyclopentyloxy-4-methylbenzene;1,3-diethoxy-2,4-dimethylbenzene;2-(2-methoxyethoxy)-5-methylbenzonitrile;1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene;4-methoxy-1-methyl-2-propan-2-yloxybenzene;5-methyl-2-[(2-methylpropan-2-yl)oxy]benzonitrile;3-(4-methylphenoxy)propan-1-ol;5-methyl-2-[2-(trifluoromethoxy)ethoxy]benzonitrile
CID 158155126
1-Butoxy-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-(cyclopropylmethylsulfonyl)-2-methyl-4-propan-2-ylbenzene;2-ethoxy-1-methoxy-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158323707
1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
CID 158709438
1-Cyclopropylsulfonyl-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-2-methyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methoxy-5-propan-2-yl-2-propan-2-yloxybenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-methoxy-1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-[2-(trifluoromethoxy)ethoxy]benzene;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 158982826
1-Benzyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,2-diethoxy-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-1-methoxy-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-yl-1-propan-2-yloxybenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;2-methoxy-1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-propoxybenzene;1-pentyl-4-propan-2-ylbenzene;1-(phenoxymethyl)-4-propan-2-ylbenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile
CID 159015040
1-(Cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene;1-(4-propan-2-ylphenyl)cyclobutan-1-ol
CID 159191476
1-Benzyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,2-diethoxy-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-yl-1-propan-2-yloxybenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;2-fluoro-1-(3-methoxyprop-1-ynyl)-4-propan-2-ylbenzene;2-methoxy-1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-propoxybenzene;1-pentyl-4-propan-2-ylbenzene;1-phenylmethoxy-4-propan-2-ylbenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile
CID 159216694

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene?
The IUPAC name of 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene (CID 157177395) is 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene.
What is the SMILES notation for 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene?
The canonical SMILES for 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene is CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)c(F)c1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(=O)(=O)C(C)C)c(C#N)c1.CC(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1OCCCO.Cc1cc(C(C)C)ccc1O.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(C(C)C)ccc1S(C)(=O)=O.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C.
What is the InChIKey of 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene?
The InChIKey is AOECRMOXXAGZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H17NO2S.C13H20O3.5C13H20O2S.C12H17FO.C12H16O2S.C12H18O2S.C12H18O.2C11H16O2S.C10H11F3O2S.C10H14O/c1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)11-5-6-13(12(7-11)8-14)17(15,16)10(3)4;1-10(2)11-5-6-12(13(9-11)15-3)16-8-4-7-14;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)13-7-6-12(8-11(13)5)16(14,15)10(3)4;1-9(2)12-6-7-13(11(5)8-12)16(14,15)10(3)4;2*1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-8(2)9-5-6-10(11(13)7-9)12(3,4)14;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-5-6-11(9(3)7-10)14(4,12)13;1-4-14(12,13)11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9/h5-8,11,15H,3-4,9-10H2,1-2H3;5-7,9-10H,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;3*6-10H,1-5H3;2*5-8,10-11H,9H2,1-4H3;5-8,14H,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-9,13H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene?
1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene has a molecular weight of 3534.12 g/mol, XLogP of 48.40, 45 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;3-(2-methoxy-4-propan-2-ylphenoxy)propan-1-ol;2-methyl-1-methylsulfonyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylphenol;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;2-methyl-4-propan-2-yl-1-propan-2-ylsulfonylbenzene;bis(1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)cyclopentan-1-ol;2-(4-propan-2-ylphenyl)propan-2-ol;5-propan-2-yl-2-propan-2-ylsulfonylbenzonitrile;1-propan-2-yl-4-(trifluoromethylsulfonyl)benzene is sourced from PubChem (CID 157177395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).