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

C143H205F3O27S2 — CID 157364961

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;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

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 (PubChem CID 157364961) has the molecular formula C143H205F3O27S2 and a molecular weight of 2477.31 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;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.

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;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
• PubChem CID: 157364961
• Molecular Formula: C143H205F3O27S2
• Molecular Weight: 2477.31 g/mol
• Exact Mass: 2475.41
• 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;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
• SMILES: CCCOc1ccc(C)cc1OC.CCOc1cc(C)cc(OCC)c1.CCOc1ccc(C)cc1OCC.COCCOc1ccc(C)cc1C.COCCOc1ccc(C)cc1OC.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
• InChI: InChI=1S/C11H13F3O2.C11H16O3.2C11H16O2S.9C11H16O2/c1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14;1-9-4-5-10(11(8-9)13-3)14-7-6-12-2;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;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-4-12-10-7-6-9(3)8-11(10)13-5-2/h3-4,7H,5-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;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;5-6,8H,4,7H2,1-3H3;2*6-8H,4-5H2,1-3H3
• InChIKey: BJBMOIUARQRKGD-UHFFFAOYSA-N
• XLogP: 33.80
• TPSA: 302.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 43
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.31
LogP ≤ 5	33.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

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;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?

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;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) 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;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.

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;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?

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;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 is CCCOc1ccc(C)cc1OC.CCOc1cc(C)cc(OCC)c1.CCOc1ccc(C)cc1OCC.COCCOc1ccc(C)cc1C.COCCOc1ccc(C)cc1OC.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.

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;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?

The InChIKey is BJBMOIUARQRKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2.C11H16O3.2C11H16O2S.9C11H16O2/c1-8-3-4-10(9(2)7-8)15-5-6-16-11(12,13)14;1-9-4-5-10(11(8-9)13-3)14-7-6-12-2;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;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-4-12-10-7-6-9(3)8-11(10)13-5-2/h3-4,7H,5-6H2,1-2H3;4-5,8H,6-7H2,1-3H3;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;5-6,8H,4,7H2,1-3H3;2*6-8H,4-5H2,1-3H3.

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;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?

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 has a molecular weight of 2477.31 g/mol, XLogP of 33.80, 43 rotatable bonds, 2 hydrogen bond donors, and 27 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;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 is sourced from PubChem (CID 157364961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).