1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene

C160H225F3N2O25S3 — CID 159250609

IUPAC1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene
SMILESCCCOc1ccc(C)cc1OC.COC(C)(C)c1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OCC(C)C.COc1cc(OC(C)(C)C)ccc1C.COc1cc(S(=O)(=O)C(C)C)ccc1C.Cc1cc(C)c(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(C#N)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.Cc1ccc(OC(C)C)cc1C#N.Cc1ccc(OC2COC2)c(C(F)(F)F)c1.Cc1ccc(OCCC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1C
InChIInChI=1S/3C12H18O2.3C12H18O.C11H11F3O2.2C11H13NO.2C11H16O3S.C11H16O2S.2C11H16O2/c1-9-6-7-10(8-11(9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-9-6-7-11(10(2)8-9)12(3,4)13-5;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-7-2-3-10(16-8-5-15-6-8)9(4-7)11(12,13)14;1-8(2)13-11-5-4-9(3)10(6-11)7-12;1-8(2)13-11-5-4-9(3)6-10(11)7-12;1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-8(2)14(12,13)11-6-5-9(3)10(4)7-11;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3/h6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8H,1-5H3;4-7,10H,8-9H2,1-3H3;2-4,8H,5-6H2,1H3;2*4-6,8H,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;5-6,8H,4,7H2,1-3H3
InChIKeyKVGCRWBVNOXXKA-UHFFFAOYSA-N
MW2729.74 g/mol
LogP38.34
Rot. Bonds38

About 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene

1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene (PubChem CID 159250609) has the molecular formula C160H225F3N2O25S3 and a molecular weight of 2729.74 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene
PubChem CID159250609
Molecular FormulaC160H225F3N2O25S3
Molecular Weight2729.74 g/mol
Exact Mass2727.55
IUPAC Name1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene
SMILESCCCOc1ccc(C)cc1OC.COC(C)(C)c1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OCC(C)C.COc1cc(OC(C)(C)C)ccc1C.COc1cc(S(=O)(=O)C(C)C)ccc1C.Cc1cc(C)c(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(C#N)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.Cc1ccc(OC(C)C)cc1C#N.Cc1ccc(OC2COC2)c(C(F)(F)F)c1.Cc1ccc(OCCC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1C
InChIInChI=1S/3C12H18O2.3C12H18O.C11H11F3O2.2C11H13NO.2C11H16O3S.C11H16O2S.2C11H16O2/c1-9-6-7-10(8-11(9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-9-6-7-11(10(2)8-9)12(3,4)13-5;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-7-2-3-10(16-8-5-15-6-8)9(4-7)11(12,13)14;1-8(2)13-11-5-4-9(3)10(6-11)7-12;1-8(2)13-11-5-4-9(3)6-10(11)7-12;1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-8(2)14(12,13)11-6-5-9(3)10(4)7-11;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3/h6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8H,1-5H3;4-7,10H,8-9H2,1-3H3;2-4,8H,5-6H2,1H3;2*4-6,8H,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;5-6,8H,4,7H2,1-3H3
InChIKeyKVGCRWBVNOXXKA-UHFFFAOYSA-N
XLogP38.34
TPSA347.37 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002729.74
LogP ≤ 538.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene 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
2-Tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2,4-dimethyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-propoxybenzene;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene
CID 157502959
1,3-Diethoxy-5-methylbenzene;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;1-(2-methoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane
CID 157591594
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
3-(4-Tert-butyl-2-methoxyphenoxy)propane-1,2-diol;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;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene
CID 158094607
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-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butylsulfonyl-2-methoxy-4-methylbenzene;1-tert-butylsulfonyl-4-methylbenzene;N,4-dimethyl-N-propan-2-ylbenzenesulfonamide;2-fluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;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-methylpropan-2-yl)oxy]benzene;1-methyl-4-(2-methylpropylsulfonyl)benzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;5-methyl-2-[2-(trifluoromethoxy)ethoxy]benzonitrile
CID 158622748
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
2-Tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene
CID 158797874
1,3-Diethoxy-5-methylbenzene;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;1-(2-methoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane
CID 159140669
1-tert-butyl-4-methylbenzene;2,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-methoxy-5-(2-methoxyethoxy)-2-methylbenzene;1-(2-methoxyethoxy)-4-methyl-2-methylsulfonylbenzene;2-methoxy-1-(2-methoxyethoxy)-4-methylbenzene;2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene;(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol;3-(2-methoxy-4-methylphenoxy)propan-1-ol;3-(2-methoxy-4-methylphenyl)oxetan-3-ol;2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 159691234
2-butan-2-yloxy-5-tert-butylbenzonitrile;4-tert-butyl-2-methoxy-1-(1-methoxypropan-2-yloxy)benzene;4-tert-butyl-2-methoxy-1-(2-methoxypropoxy)benzene;3-(4-tert-butyl-2-methoxyphenoxy)oxolane;2-tert-butyl-5-methylbenzonitrile;1-tert-butylsulfonyl-2-methoxy-4-methylbenzene;N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenoxy]ethanamine;1-(2-ethoxyethoxy)-2-methoxy-4-methylbenzene;3-methoxy-3-(2-methoxy-4-methylphenyl)oxetane;2-methoxy-1-(3-methoxypropoxy)-4-methylbenzene;2-(2-methoxy-4-methylphenoxy)-2-methylpropanenitrile;2-(3-methoxy-4-methylphenoxy)-2-methylpropanenitrile
CID 159785034

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene (CID 159250609) is 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene is CCCOc1ccc(C)cc1OC.COC(C)(C)c1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OCC(C)C.COc1cc(OC(C)(C)C)ccc1C.COc1cc(S(=O)(=O)C(C)C)ccc1C.Cc1cc(C)c(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(C#N)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.Cc1ccc(OC(C)C)cc1C#N.Cc1ccc(OC2COC2)c(C(F)(F)F)c1.Cc1ccc(OCCC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The InChIKey is KVGCRWBVNOXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H18O2.3C12H18O.C11H11F3O2.2C11H13NO.2C11H16O3S.C11H16O2S.2C11H16O2/c1-9-6-7-10(8-11(9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-9-6-7-11(10(2)8-9)12(3,4)13-5;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-7-2-3-10(16-8-5-15-6-8)9(4-7)11(12,13)14;1-8(2)13-11-5-4-9(3)10(6-11)7-12;1-8(2)13-11-5-4-9(3)6-10(11)7-12;1-8(2)15(12,13)10-6-5-9(3)11(7-10)14-4;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-8(2)14(12,13)11-6-5-9(3)10(4)7-11;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3/h6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8H,1-5H3;4-7,10H,8-9H2,1-3H3;2-4,8H,5-6H2,1H3;2*4-6,8H,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;5-6,8H,4,7H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene has a molecular weight of 2729.74 g/mol, XLogP of 38.34, 38 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylsulfonylbenzene;2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-methoxy-1-methyl-4-propan-2-ylsulfonylbenzene;2-methoxy-4-methyl-1-propoxybenzene;1-(2-methoxypropan-2-yl)-2,4-dimethylbenzene;1-methyl-4-(3-methylbutoxy)benzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;2-methyl-5-propan-2-yloxybenzonitrile;5-methyl-2-propan-2-yloxybenzonitrile;3-[4-methyl-2-(trifluoromethyl)phenoxy]oxetane;1,3,5-trimethyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 159250609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).