1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene

C145H202F5NO19S2 — CID 158852776

IUPAC1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
SMILESCOCc1ccccc1C.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1OC(C)C.COc1ccccc1C.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(C(C)(C)O)cc1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1ccc(S(=O)(=O)NC(C)C)cc1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)F
InChIInChI=1S/C14H22O.C13H20O2.C12H18O2.C11H16O2.2C11H16O.C10H15NO2S.C10H14O2S.2C10H14O.C9H12O.C8H7F3O.C8H8F2O.C8H10O/c1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)10-6-7-11(13(3,4)14)12(8-10)15-5;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-5-6-10(9(2)7-8)11(3,4)12;1-8(2)12-11-6-5-9(3)7-10(11)4;1-8(2)11-14(12,13)10-6-4-9(3)5-7-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-8-4-6-9(7-5-8)10(2,3)11;1-8(2)11-10-6-4-9(3)5-7-10;1-8-5-3-4-6-9(8)7-10-2;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)11-8(9)10;1-7-5-3-4-6-8(7)9-2/h7-10H,1-6H3;6-9,14H,1-5H3;5-7,13H,8H2,1-4H3;5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-8,11H,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3
InChIKeyIZRBHCFBMVSIPG-UHFFFAOYSA-N
MW2422.32 g/mol
LogP36.35
Rot. Bonds28

About 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene

1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene (PubChem CID 158852776) has the molecular formula C145H202F5NO19S2 and a molecular weight of 2422.32 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
PubChem CID158852776
Molecular FormulaC145H202F5NO19S2
Molecular Weight2422.32 g/mol
Exact Mass2420.42
IUPAC Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
SMILESCOCc1ccccc1C.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1OC(C)C.COc1ccccc1C.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(C(C)(C)O)cc1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1ccc(S(=O)(=O)NC(C)C)cc1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)F
InChIInChI=1S/C14H22O.C13H20O2.C12H18O2.C11H16O2.2C11H16O.C10H15NO2S.C10H14O2S.2C10H14O.C9H12O.C8H7F3O.C8H8F2O.C8H10O/c1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)10-6-7-11(13(3,4)14)12(8-10)15-5;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-5-6-10(9(2)7-8)11(3,4)12;1-8(2)12-11-6-5-9(3)7-10(11)4;1-8(2)11-14(12,13)10-6-4-9(3)5-7-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-8-4-6-9(7-5-8)10(2,3)11;1-8(2)11-10-6-4-9(3)5-7-10;1-8-5-3-4-6-9(8)7-10-2;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)11-8(9)10;1-7-5-3-4-6-8(7)9-2/h7-10H,1-6H3;6-9,14H,1-5H3;5-7,13H,8H2,1-4H3;5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-8,11H,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3
InChIKeyIZRBHCFBMVSIPG-UHFFFAOYSA-N
XLogP36.35
TPSA262.76 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002422.32
LogP ≤ 536.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-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-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene (CID 158852776) is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene is COCc1ccccc1C.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1OC(C)C.COc1ccccc1C.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(C(C)(C)O)cc1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1ccc(S(=O)(=O)NC(C)C)cc1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)F.
What is the InChIKey of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is IZRBHCFBMVSIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H20O2.C12H18O2.C11H16O2.2C11H16O.C10H15NO2S.C10H14O2S.2C10H14O.C9H12O.C8H7F3O.C8H8F2O.C8H10O/c1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)10-6-7-11(13(3,4)14)12(8-10)15-5;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-5-6-10(9(2)7-8)11(3,4)12;1-8(2)12-11-6-5-9(3)7-10(11)4;1-8(2)11-14(12,13)10-6-4-9(3)5-7-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-8-4-6-9(7-5-8)10(2,3)11;1-8(2)11-10-6-4-9(3)5-7-10;1-8-5-3-4-6-9(8)7-10-2;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)11-8(9)10;1-7-5-3-4-6-8(7)9-2/h7-10H,1-6H3;6-9,14H,1-5H3;5-7,13H,8H2,1-4H3;5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-8,11H,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3.
What are the key properties of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?
1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 2422.32 g/mol, XLogP of 36.35, 28 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-(difluoromethoxy)-2-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-(4-methylphenyl)propan-2-ol;4-methyl-N-propan-2-ylbenzenesulfonamide;1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158852776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).