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

C111H156F4O28S2 — CID 159691234

About 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

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 (PubChem CID 159691234) has the molecular formula C111H156F4O28S2 and a molecular weight of 2078.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159691234
• Molecular Formula: C111H156F4O28S2
• Molecular Weight: 2078.57 g/mol
• Exact Mass: 2077.02
• IUPAC Name: 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
• SMILES: COCCOc1cc(F)c(C)cc1OC.COCCOc1ccc(C)cc1OC.COCCOc1ccc(C)cc1S(C)(=O)=O.COc1cc(C)ccc1C1(O)COC1.COc1cc(C)ccc1OCCCO.COc1cc(C)ccc1OCCOC(F)(F)F.COc1cc(C)ccc1OCCS(C)(=O)=O.COc1cc(C)ccc1OC[C@H](O)CO.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)c(C)c1
• InChI: InChI=1S/C12H18O.C11H13F3O3.C11H15FO3.2C11H16O4S.C11H16O4.C11H14O3.2C11H16O3.C11H16/c1-9-6-7-11(10(2)8-9)13-12(3,4)5;1-8-3-4-9(10(7-8)15-2)16-5-6-17-11(12,13)14;1-8-6-10(14-3)11(7-9(8)12)15-5-4-13-2;1-9-4-5-10(11(8-9)14-2)15-6-7-16(3,12)13;1-9-4-5-10(15-7-6-14-2)11(8-9)16(3,12)13;1-8-3-4-10(11(5-8)14-2)15-7-9(13)6-12;1-8-3-4-9(10(5-8)13-2)11(12)6-14-7-11;1-9-4-5-10(11(8-9)13-3)14-7-6-12-2;1-9-4-5-10(11(8-9)13-2)14-7-3-6-12;1-9-5-7-10(8-6-9)11(2,3)4/h6-8H,1-5H3;3-4,7H,5-6H2,1-2H3;6-7H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;3-5,9,12-13H,6-7H2,1-2H3;3-5,12H,6-7H2,1-2H3;4-5,8H,6-7H2,1-3H3;4-5,8,12H,3,6-7H2,1-2H3;5-8H,1-4H3/t;;;;;9-;;;;/m.....1..../s1
• InChIKey: MWLBRACGRLHTBO-LEXSJSBWSA-N
• XLogP: 20.46
• TPSA: 333.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.57
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCCOc1cc(F)c(C)cc1OC.COCCOc1ccc(C)cc1OC.COCCOc1ccc(C)cc1S(C)(=O)=O.COc1cc(C)ccc1C1(O)COC1.COc1cc(C)ccc1OCCCO.COc1cc(C)ccc1OCCOC(F)(F)F.COc1cc(C)ccc1OCCS(C)(=O)=O.COc1cc(C)ccc1OC[C@H](O)CO.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(OC(C)(C)C)c(C)c1.

What is the InChIKey of 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?

The InChIKey is MWLBRACGRLHTBO-LEXSJSBWSA-N. The full InChI is InChI=1S/C12H18O.C11H13F3O3.C11H15FO3.2C11H16O4S.C11H16O4.C11H14O3.2C11H16O3.C11H16/c1-9-6-7-11(10(2)8-9)13-12(3,4)5;1-8-3-4-9(10(7-8)15-2)16-5-6-17-11(12,13)14;1-8-6-10(14-3)11(7-9(8)12)15-5-4-13-2;1-9-4-5-10(11(8-9)14-2)15-6-7-16(3,12)13;1-9-4-5-10(15-7-6-14-2)11(8-9)16(3,12)13;1-8-3-4-10(11(5-8)14-2)15-7-9(13)6-12;1-8-3-4-9(10(5-8)13-2)11(12)6-14-7-11;1-9-4-5-10(11(8-9)13-3)14-7-6-12-2;1-9-4-5-10(11(8-9)13-2)14-7-3-6-12;1-9-5-7-10(8-6-9)11(2,3)4/h6-8H,1-5H3;3-4,7H,5-6H2,1-2H3;6-7H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;3-5,9,12-13H,6-7H2,1-2H3;3-5,12H,6-7H2,1-2H3;4-5,8H,6-7H2,1-3H3;4-5,8,12H,3,6-7H2,1-2H3;5-8H,1-4H3/t;;;;;9-;;;;/m.....1..../s1.

What are the key properties of 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?

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 has a molecular weight of 2078.57 g/mol, XLogP of 20.46, 38 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159691234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).