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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran

C155H218F6O25S2 — CID 160745263

About 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran

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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran (PubChem CID 160745263) has the molecular formula C155H218F6O25S2 and a molecular weight of 2659.55 g/mol. Its IUPAC name is 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran.

Molecular Properties

• Compound Name: 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran
• PubChem CID: 160745263
• Molecular Formula: C155H218F6O25S2
• Molecular Weight: 2659.55 g/mol
• Exact Mass: 2657.51
• IUPAC Name: 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran
• SMILES: CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1CC.CCOc1cc(C)cc(OCC)c1.CCOc1ccc(C)cc1OCC.COCCOc1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1OC(C)C.COc1cc(OC(C)C)ccc1C.COc1ccc(C)c(OC(C)C)c1.Cc1ccc(OC(C)C)c(CO)c1.Cc1ccc(OCCOC(F)(F)F)c(C)c1.Cc1ccc(S(=O)(=O)C(C)C)c(C)c1.Cc1ccc(S(=O)(=O)C(C)C)cc1C.Cc1cccc2c1CC(C)(C)O2
• InChI: InChI=1S/C12H18O.C11H13F3O2.C11H13F3O.2C11H16O2S.8C11H16O2.C11H14O/c1-4-8-13-12-7-6-10(3)9-11(12)5-2;1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8(2)14(12,13)11-6-5-9(3)10(4)7-11;1-8(2)14(12,13)11-6-5-9(3)7-10(11)4;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)11(7-10)12-4;1-8(2)13-11-7-10(12-4)6-5-9(11)3;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8(2)13-11-5-4-9(3)6-10(11)7-12;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-4-12-10-7-6-9(3)8-11(10)13-5-2;1-8-5-4-6-10-9(8)7-11(2,3)12-10/h6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,7H,3,6H2,1-2H3;2*5-8H,1-4H3;5-7,12H,1-4H3;3*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*6-8H,4-5H2,1-3H3;4-6H,7H2,1-3H3
• InChIKey: RWCRFEIKBAIFQO-UHFFFAOYSA-N
• XLogP: 38.84
• TPSA: 284.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2659.55
LogP ≤ 5	38.84
H-Bond Donors ≤ 5	2
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 1,2-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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran?

The IUPAC name of 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran (CID 160745263) is 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran.

What is the SMILES notation for 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran?

The canonical SMILES for 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran is CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1CC.CCOc1cc(C)cc(OCC)c1.CCOc1ccc(C)cc1OCC.COCCOc1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1OC(C)C.COc1cc(OC(C)C)ccc1C.COc1ccc(C)c(OC(C)C)c1.Cc1ccc(OC(C)C)c(CO)c1.Cc1ccc(OCCOC(F)(F)F)c(C)c1.Cc1ccc(S(=O)(=O)C(C)C)c(C)c1.Cc1ccc(S(=O)(=O)C(C)C)cc1C.Cc1cccc2c1CC(C)(C)O2.

What is the InChIKey of 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran?

The InChIKey is RWCRFEIKBAIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C11H13F3O2.C11H13F3O.2C11H16O2S.8C11H16O2.C11H14O/c1-4-8-13-12-7-6-10(3)9-11(12)5-2;1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8(2)14(12,13)11-6-5-9(3)10(4)7-11;1-8(2)14(12,13)11-6-5-9(3)7-10(11)4;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)11(7-10)12-4;1-8(2)13-11-7-10(12-4)6-5-9(11)3;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8(2)13-11-5-4-9(3)6-10(11)7-12;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-4-12-10-7-6-9(3)8-11(10)13-5-2;1-8-5-4-6-10-9(8)7-11(2,3)12-10/h6-7,9H,4-5,8H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,7H,3,6H2,1-2H3;2*5-8H,1-4H3;5-7,12H,1-4H3;3*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*6-8H,4-5H2,1-3H3;4-6H,7H2,1-3H3.

What are the key properties of 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran?

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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran has a molecular weight of 2659.55 g/mol, XLogP of 38.84, 41 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-ethyl-4-methyl-1-propoxybenzene;1-(2-methoxyethoxy)-2,4-dimethylbenzene;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;(5-methyl-2-propan-2-yloxyphenyl)methanol;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran is sourced from PubChem (CID 160745263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).