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

C181H268F5NO25S6 — CID 158982826

IUPAC1-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
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cc1OC.COc1cc(C(C)C)cc(F)c1OC(C)C.COc1cc(C(C)C)ccc1OCCOC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(C)(C)C.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C
InChIInChI=1S/C15H24O.C14H20O.C13H17F3O3.C13H19FO2.C13H19FO.C13H19NO2S.C13H20O3.3C13H20O2S.C12H16O2S.C12H18O2S.C12H18O2.C12H18/c1-11(2)13-7-8-14(12(3)9-13)16-10-15(4,5)6;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)10-4-5-11(12(8-10)17-3)18-6-7-19-13(14,15)16;1-8(2)10-6-11(14)13(16-9(3)4)12(7-10)15-5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-5-6-12(13(9-11)15-4)16-8-7-14-3;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;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;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;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-9,11H,10H2,1-6H3;5-8,11,15H,3-4,9-10H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-9H,1-5H3;5-7,9,15H,8H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7,10H,8-9H2,1-3H3;5-10H,1-4H3
InChIKeyJPFGBISTGGUISD-UHFFFAOYSA-N
MW3145.51 g/mol
LogP46.56
Rot. Bonds50

About 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

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 (PubChem CID 158982826) has the molecular formula C181H268F5NO25S6 and a molecular weight of 3145.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158982826
Molecular FormulaC181H268F5NO25S6
Molecular Weight3145.51 g/mol
Exact Mass3142.80
IUPAC Name1-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
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cc1OC.COc1cc(C(C)C)cc(F)c1OC(C)C.COc1cc(C(C)C)ccc1OCCOC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(C)(C)C.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C
InChIInChI=1S/C15H24O.C14H20O.C13H17F3O3.C13H19FO2.C13H19FO.C13H19NO2S.C13H20O3.3C13H20O2S.C12H16O2S.C12H18O2S.C12H18O2.C12H18/c1-11(2)13-7-8-14(12(3)9-13)16-10-15(4,5)6;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)10-4-5-11(12(8-10)17-3)18-6-7-19-13(14,15)16;1-8(2)10-6-11(14)13(16-9(3)4)12(7-10)15-5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-5-6-12(13(9-11)15-4)16-8-7-14-3;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;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;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;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-9,11H,10H2,1-6H3;5-8,11,15H,3-4,9-10H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-9H,1-5H3;5-7,9,15H,8H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7,10H,8-9H2,1-3H3;5-10H,1-4H3
InChIKeyJPFGBISTGGUISD-UHFFFAOYSA-N
XLogP46.56
TPSA350.07 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds50
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003145.51
LogP ≤ 546.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cc1OC.COc1cc(C(C)C)cc(F)c1OC(C)C.COc1cc(C(C)C)ccc1OCCOC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(C)(C)C.Cc1cc(C(C)C)ccc1S(=O)(=O)C(C)C.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C.
What is the InChIKey of 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?
The InChIKey is JPFGBISTGGUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C14H20O.C13H17F3O3.C13H19FO2.C13H19FO.C13H19NO2S.C13H20O3.3C13H20O2S.C12H16O2S.C12H18O2S.C12H18O2.C12H18/c1-11(2)13-7-8-14(12(3)9-13)16-10-15(4,5)6;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-9(2)10-4-5-11(12(8-10)17-3)18-6-7-19-13(14,15)16;1-8(2)10-6-11(14)13(16-9(3)4)12(7-10)15-5;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-11(2)12-5-7-13(8-6-12)17(15,16)14-9-3-4-10-14;1-10(2)11-5-6-12(13(9-11)15-4)16-8-7-14-3;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;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;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;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-9,11H,10H2,1-6H3;5-8,11,15H,3-4,9-10H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-9H,1-5H3;5-7,9,15H,8H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7,10H,8-9H2,1-3H3;5-10H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3145.51 g/mol, XLogP of 46.56, 50 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158982826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).