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

C113H152F3N3O22S2 — CID 158155126

About 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

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 (PubChem CID 158155126) has the molecular formula C113H152F3N3O22S2 and a molecular weight of 2025.59 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158155126
• Molecular Formula: C113H152F3N3O22S2
• Molecular Weight: 2025.59 g/mol
• Exact Mass: 2024.03
• IUPAC Name: 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
• SMILES: CCOc1ccc(C)c(OCC)c1C.COCCOc1ccc(C)cc1C#N.COCCOc1ccc(C)cc1S(C)(=O)=O.COc1cc(C)ccc1C(C)(C)OC.COc1cc(C)ccc1OCCS(C)(=O)=O.COc1ccc(C)c(OC(C)C)c1.Cc1ccc(OC(C)(C)C)c(C#N)c1.Cc1ccc(OC2CCCC2)cc1.Cc1ccc(OCCCO)cc1.Cc1ccc(OCCOC(F)(F)F)c(C#N)c1
• InChI: InChI=1S/C12H15NO.2C12H18O2.C12H16O.C11H10F3NO2.C11H13NO2.2C11H16O4S.C11H16O2.C10H14O2/c1-9-5-6-11(10(7-9)8-13)14-12(2,3)4;1-9-6-7-10(11(8-9)13-4)12(2,3)14-5;1-5-13-11-8-7-9(3)12(10(11)4)14-6-2;1-10-6-8-12(9-7-10)13-11-4-2-3-5-11;1-8-2-3-10(9(6-8)7-15)16-4-5-17-11(12,13)14;1-9-3-4-11(10(7-9)8-12)14-6-5-13-2;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(2)13-11-7-10(12-4)6-5-9(11)3;1-9-3-5-10(6-4-9)12-8-2-7-11/h5-7H,1-4H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-9,11H,2-5H2,1H3;2-3,6H,4-5H2,1H3;3-4,7H,5-6H2,1-2H3;2*4-5,8H,6-7H2,1-3H3;5-8H,1-4H3;3-6,11H,2,7-8H2,1H3
• InChIKey: FVOUWAIJWIGIOW-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 316.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.59
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOc1ccc(C)c(OCC)c1C.COCCOc1ccc(C)cc1C#N.COCCOc1ccc(C)cc1S(C)(=O)=O.COc1cc(C)ccc1C(C)(C)OC.COc1cc(C)ccc1OCCS(C)(=O)=O.COc1ccc(C)c(OC(C)C)c1.Cc1ccc(OC(C)(C)C)c(C#N)c1.Cc1ccc(OC2CCCC2)cc1.Cc1ccc(OCCCO)cc1.Cc1ccc(OCCOC(F)(F)F)c(C#N)c1.

What is the InChIKey of 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?

The InChIKey is FVOUWAIJWIGIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2C12H18O2.C12H16O.C11H10F3NO2.C11H13NO2.2C11H16O4S.C11H16O2.C10H14O2/c1-9-5-6-11(10(7-9)8-13)14-12(2,3)4;1-9-6-7-10(11(8-9)13-4)12(2,3)14-5;1-5-13-11-8-7-9(3)12(10(11)4)14-6-2;1-10-6-8-12(9-7-10)13-11-4-2-3-5-11;1-8-2-3-10(9(6-8)7-15)16-4-5-17-11(12,13)14;1-9-3-4-11(10(7-9)8-12)14-6-5-13-2;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(2)13-11-7-10(12-4)6-5-9(11)3;1-9-3-5-10(6-4-9)12-8-2-7-11/h5-7H,1-4H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-9,11H,2-5H2,1H3;2-3,6H,4-5H2,1H3;3-4,7H,5-6H2,1-2H3;2*4-5,8H,6-7H2,1-3H3;5-8H,1-4H3;3-6,11H,2,7-8H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2025.59 g/mol, XLogP of 24.42, 35 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158155126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).