1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene

C150H226F3NO18S3 — CID 158210373

IUPAC1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccccc1OC(F)(F)F.CCc1cc(C(C)C)ccc1OC(C)C.CCc1ccc(C(C)C)cc1OC.CNS(=O)(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OC(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.Cc1cc(C(C)C)ccc1OC(C)C
InChIInChI=1S/C15H24O2.C14H22O2.2C14H22O.C13H20O2S.C13H20O2.C13H20O.2C12H18O.C10H11F3O.C10H15NO2S.C10H14O2S/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)11-6-7-12(15-10(3)4)13(8-11)14-5;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12/h6-7,10-12H,8-9H2,1-5H3;7-10H,1-6H3;7-10H,1-6H3;7-11H,6H2,1-5H3;6-10H,1-5H3;6-10H,1-5H3;6-10H,1-5H3;5-9,13H,1-4H3;6-9H,5H2,1-4H3;3-7H,1-2H3;4-8,11H,1-3H3;4-8H,1-3H3
InChIKeyGBZRQSRRCFWOSV-UHFFFAOYSA-N
MW2484.64 g/mol
LogP41.47
Rot. Bonds36

About 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene

1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 158210373) has the molecular formula C150H226F3NO18S3 and a molecular weight of 2484.64 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID158210373
Molecular FormulaC150H226F3NO18S3
Molecular Weight2484.64 g/mol
Exact Mass2482.59
IUPAC Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccccc1OC(F)(F)F.CCc1cc(C(C)C)ccc1OC(C)C.CCc1ccc(C(C)C)cc1OC.CNS(=O)(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OC(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.Cc1cc(C(C)C)ccc1OC(C)C
InChIInChI=1S/C15H24O2.C14H22O2.2C14H22O.C13H20O2S.C13H20O2.C13H20O.2C12H18O.C10H11F3O.C10H15NO2S.C10H14O2S/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)11-6-7-12(15-10(3)4)13(8-11)14-5;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12/h6-7,10-12H,8-9H2,1-5H3;7-10H,1-6H3;7-10H,1-6H3;7-11H,6H2,1-5H3;6-10H,1-5H3;6-10H,1-5H3;6-10H,1-5H3;5-9,13H,1-4H3;6-9H,5H2,1-4H3;3-7H,1-2H3;4-8,11H,1-3H3;4-8H,1-3H3
InChIKeyGBZRQSRRCFWOSV-UHFFFAOYSA-N
XLogP41.47
TPSA236.21 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002484.64
LogP ≤ 541.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 158210373) is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccccc1OC(F)(F)F.CCc1cc(C(C)C)ccc1OC(C)C.CCc1ccc(C(C)C)cc1OC.CNS(=O)(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OC(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.Cc1cc(C(C)C)ccc1OC(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is GBZRQSRRCFWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C14H22O2.2C14H22O.C13H20O2S.C13H20O2.C13H20O.2C12H18O.C10H11F3O.C10H15NO2S.C10H14O2S/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-10(2)11-6-8-12(9-7-11)16(14,15)13(3,4)5;1-9(2)11-6-7-12(15-10(3)4)13(8-11)14-5;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12/h6-7,10-12H,8-9H2,1-5H3;7-10H,1-6H3;7-10H,1-6H3;7-11H,6H2,1-5H3;6-10H,1-5H3;6-10H,1-5H3;6-10H,1-5H3;5-9,13H,1-4H3;6-9H,5H2,1-4H3;3-7H,1-2H3;4-8,11H,1-3H3;4-8H,1-3H3.
What are the key properties of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene?
1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 2484.64 g/mol, XLogP of 41.47, 36 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butylsulfonyl-4-propan-2-ylbenzene;1-ethyl-2-methoxy-4-propan-2-ylbenzene;2-ethyl-4-propan-2-yl-1-propan-2-yloxybenzene;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;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158210373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).