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

C143H193F13O25S2 — CID 159140669

About 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

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 (PubChem CID 159140669) has the molecular formula C143H193F13O25S2 and a molecular weight of 2623.20 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159140669
• Molecular Formula: C143H193F13O25S2
• Molecular Weight: 2623.20 g/mol
• Exact Mass: 2621.31
• IUPAC Name: 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
• SMILES: CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1OC.CCCOc1ccc(C)cc1S(C)(=O)=O.CCOc1cc(C)cc(OCC)c1.COCCOc1ccc(C)cc1C.COCCOc1ccc(C)cc1C(F)(F)F.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OC(C)C.Cc1ccc(C(C)(C)CO)c(F)c1.Cc1ccc(OC(C)C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.Cc1ccc(OC2COC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C11H11F3O2.C11H13F3O2.2C11H13F3O.C11H15FO.2C11H16O3S.6C11H16O2/c1-7-2-3-10(16-8-5-15-6-8)9(4-7)11(12,13)14;1-8-3-4-10(16-6-5-15-2)9(7-8)11(12,13)14;1-7(2)15-10-5-4-8(3)6-9(10)11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-9(10(12)6-8)11(2,3)7-13;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-4-7-14-10-6-5-9(2)8-11(10)15(3,12)13;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2/h2-4,8H,5-6H2,1H3;3-4,7H,5-6H2,1-2H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;4-6,13H,7H2,1-3H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;5-7,12H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8H,4,7H2,1-3H3;6-8H,4-5H2,1-3H3
• InChIKey: KIAYZQPFQYHPPB-UHFFFAOYSA-N
• XLogP: 35.25
• TPSA: 295.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.20
LogP ≤ 5	35.25
H-Bond Donors ≤ 5	3
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 1,3-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1OC.CCCOc1ccc(C)cc1S(C)(=O)=O.CCOc1cc(C)cc(OCC)c1.COCCOc1ccc(C)cc1C.COCCOc1ccc(C)cc1C(F)(F)F.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OC(C)C.Cc1ccc(C(C)(C)CO)c(F)c1.Cc1ccc(OC(C)C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.Cc1ccc(OC2COC2)c(C(F)(F)F)c1.

What is the InChIKey of 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?

The InChIKey is KIAYZQPFQYHPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2.C11H13F3O2.2C11H13F3O.C11H15FO.2C11H16O3S.6C11H16O2/c1-7-2-3-10(16-8-5-15-6-8)9(4-7)11(12,13)14;1-8-3-4-10(16-6-5-15-2)9(7-8)11(12,13)14;1-7(2)15-10-5-4-8(3)6-9(10)11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-9(10(12)6-8)11(2,3)7-13;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-4-7-14-10-6-5-9(2)8-11(10)15(3,12)13;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2/h2-4,8H,5-6H2,1H3;3-4,7H,5-6H2,1-2H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;4-6,13H,7H2,1-3H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;5-7,12H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8H,4,7H2,1-3H3;6-8H,4-5H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 2623.20 g/mol, XLogP of 35.25, 40 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159140669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).