1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene

C135H159F21O17 — CID 157366987

About 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene

1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 157366987) has the molecular formula C135H159F21O17 and a molecular weight of 2452.70 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

• Compound Name: 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene
• PubChem CID: 157366987
• Molecular Formula: C135H159F21O17
• Molecular Weight: 2452.70 g/mol
• Exact Mass: 2451.12
• IUPAC Name: 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene
• SMILES: CCOc1cccc(C)c1.CCc1ccc(C)cc1O.COc1c(C)cccc1C.COc1c(C)cccc1C.COc1cc(C(F)(F)F)ccc1C.COc1cc(C)ccc1C.COc1ccc(C)c(C(F)(F)F)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(OC)c1.COc1ccc(C)cc1C(F)(F)F.COc1ccc(OC)c(C)c1.COc1cccc(OC)c1C.Cc1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1ccc(OC(F)(F)F)cc1C.Cc1ccc(OCC(F)(F)F)cc1
• InChI: InChI=1S/C9H6F6.5C9H9F3O.3C9H12O2.6C9H12O/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15;1-6-3-4-7(13-2)5-8(6)9(10,11)12;1-6-3-4-7(9(10,11)12)5-8(6)13-2;1-6-3-4-8(5-7(6)2)13-9(10,11)12;1-6-3-4-8(13-2)7(5-6)9(10,11)12;1-7-2-4-8(5-3-7)13-6-9(10,11)12;1-7-6-8(10-2)4-5-9(7)11-3;1-7-4-5-8(10-2)6-9(7)11-3;1-7-8(10-2)5-4-6-9(7)11-3;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;2*1-7-5-4-6-8(2)9(7)10-3;1-3-8-5-4-7(2)6-9(8)10;1-3-10-9-6-4-5-8(2)7-9/h2-4H,1H3;4*3-5H,1-2H3;2-5H,6H2,1H3;3*4-6H,1-3H3;4*4-6H,1-3H3;4-6,10H,3H2,1-2H3;4-7H,3H2,1-2H3
• InChIKey: BJHNTITWVZDKGR-UHFFFAOYSA-N
• XLogP: 39.18
• TPSA: 167.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.70
LogP ≤ 5	39.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene?

The IUPAC name of 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene (CID 157366987) is 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene.

What is the SMILES notation for 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene?

The canonical SMILES for 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene is CCOc1cccc(C)c1.CCc1ccc(C)cc1O.COc1c(C)cccc1C.COc1c(C)cccc1C.COc1cc(C(F)(F)F)ccc1C.COc1cc(C)ccc1C.COc1ccc(C)c(C(F)(F)F)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(OC)c1.COc1ccc(C)cc1C(F)(F)F.COc1ccc(OC)c(C)c1.COc1cccc(OC)c1C.Cc1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1ccc(OC(F)(F)F)cc1C.Cc1ccc(OCC(F)(F)F)cc1.

What is the InChIKey of 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene?

The InChIKey is BJHNTITWVZDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6.5C9H9F3O.3C9H12O2.6C9H12O/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15;1-6-3-4-7(13-2)5-8(6)9(10,11)12;1-6-3-4-7(9(10,11)12)5-8(6)13-2;1-6-3-4-8(5-7(6)2)13-9(10,11)12;1-6-3-4-8(13-2)7(5-6)9(10,11)12;1-7-2-4-8(5-3-7)13-6-9(10,11)12;1-7-6-8(10-2)4-5-9(7)11-3;1-7-4-5-8(10-2)6-9(7)11-3;1-7-8(10-2)5-4-6-9(7)11-3;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;2*1-7-5-4-6-8(2)9(7)10-3;1-3-8-5-4-7(2)6-9(8)10;1-3-10-9-6-4-5-8(2)7-9/h2-4H,1H3;4*3-5H,1-2H3;2-5H,6H2,1H3;3*4-6H,1-3H3;4*4-6H,1-3H3;4-6,10H,3H2,1-2H3;4-7H,3H2,1-2H3.

What are the key properties of 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene?

1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 2452.70 g/mol, XLogP of 39.18, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxy-2-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1,2-dimethyl-4-(trifluoromethoxy)benzene;1-ethoxy-3-methylbenzene;2-ethyl-5-methylphenol;bis(2-methoxy-1,3-dimethylbenzene);2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-methyl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene;1-methyl-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 157366987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).