1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene

C160H218F8O25S2 — CID 158709438

About 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene

1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene (PubChem CID 158709438) has the molecular formula C160H218F8O25S2 and a molecular weight of 2757.60 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
• PubChem CID: 158709438
• Molecular Formula: C160H218F8O25S2
• Molecular Weight: 2757.60 g/mol
• Exact Mass: 2755.51
• IUPAC Name: 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene
• SMILES: CC(C)c1ccc(C(C)(C)O)c(F)c1.CC(C)c1ccc(S(=O)(=O)C(F)F)cc1.COCc1ccccc1C.COc1cc(C(C)C)ccc1OCCO.COc1cc(C(C)C)ccc1O[C@@H]1CCOC1.COc1cc(C)ccc1OC(C)C.COc1ccc(C)cc1OC.COc1ccccc1C.Cc1cc(C(C)C)ccc1OC1COC1.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(CC(C)(C)O)cc1.Cc1ccc(OC(C)C)c(CO)c1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)F
• InChI: InChI=1S/C14H20O3.C13H20O2S.C13H18O2.C12H17FO.C12H18O3.2C11H16O2.2C11H16O.C10H12F2O2S.C9H12O2.C9H12O.C8H7F3O.C8H8F2O.C8H10O/c1-10(2)11-4-5-13(14(8-11)15-3)17-12-6-7-16-9-12;1-9(2)13-7-6-12(8-11(13)5)16(14,15)10(3)4;1-9(2)11-4-5-13(10(3)6-11)15-12-7-14-8-12;1-8(2)9-5-6-10(11(13)7-9)12(3,4)14;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;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;1-8-5-6-10(9(2)7-8)11(3,4)12;1-9-4-6-10(7-5-9)8-11(2,3)12;1-7(2)8-3-5-9(6-4-8)15(13,14)10(11)12;1-7-4-5-8(10-2)9(6-7)11-3;1-8-5-3-4-6-9(8)7-10-2;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)11-8(9)10;1-7-5-3-4-6-8(7)9-2/h4-5,8,10,12H,6-7,9H2,1-3H3;6-10H,1-5H3;4-6,9,12H,7-8H2,1-3H3;5-8,14H,1-4H3;4-5,8-9,13H,6-7H2,1-3H3;5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;5-7,12H,1-4H3;4-7,12H,8H2,1-3H3;3-7,10H,1-2H3;4-6H,1-3H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3/t12-;;;;;;;;;;;;;;/m1............../s1
• InChIKey: IINOWNKWCQZNIK-BDLFGQDZSA-N
• XLogP: 38.91
• TPSA: 317.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.60
LogP ≤ 5	38.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?

The IUPAC name of 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene (CID 158709438) is 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene.

What is the SMILES notation for 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?

The canonical SMILES for 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(C(C)(C)O)c(F)c1.CC(C)c1ccc(S(=O)(=O)C(F)F)cc1.COCc1ccccc1C.COc1cc(C(C)C)ccc1OCCO.COc1cc(C(C)C)ccc1O[C@@H]1CCOC1.COc1cc(C)ccc1OC(C)C.COc1ccc(C)cc1OC.COc1ccccc1C.Cc1cc(C(C)C)ccc1OC1COC1.Cc1cc(S(=O)(=O)C(C)C)ccc1C(C)C.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(CC(C)(C)O)cc1.Cc1ccc(OC(C)C)c(CO)c1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)F.

What is the InChIKey of 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?

The InChIKey is IINOWNKWCQZNIK-BDLFGQDZSA-N. The full InChI is InChI=1S/C14H20O3.C13H20O2S.C13H18O2.C12H17FO.C12H18O3.2C11H16O2.2C11H16O.C10H12F2O2S.C9H12O2.C9H12O.C8H7F3O.C8H8F2O.C8H10O/c1-10(2)11-4-5-13(14(8-11)15-3)17-12-6-7-16-9-12;1-9(2)13-7-6-12(8-11(13)5)16(14,15)10(3)4;1-9(2)11-4-5-13(10(3)6-11)15-12-7-14-8-12;1-8(2)9-5-6-10(11(13)7-9)12(3,4)14;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;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;1-8-5-6-10(9(2)7-8)11(3,4)12;1-9-4-6-10(7-5-9)8-11(2,3)12;1-7(2)8-3-5-9(6-4-8)15(13,14)10(11)12;1-7-4-5-8(10-2)9(6-7)11-3;1-8-5-3-4-6-9(8)7-10-2;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)11-8(9)10;1-7-5-3-4-6-8(7)9-2/h4-5,8,10,12H,6-7,9H2,1-3H3;6-10H,1-5H3;4-6,9,12H,7-8H2,1-3H3;5-8,14H,1-4H3;4-5,8-9,13H,6-7H2,1-3H3;5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;5-7,12H,1-4H3;4-7,12H,8H2,1-3H3;3-7,10H,1-2H3;4-6H,1-3H3;3-6H,7H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3/t12-;;;;;;;;;;;;;;/m1............../s1.

What are the key properties of 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene?

1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 2757.60 g/mol, XLogP of 38.91, 37 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethoxy)-2-methylbenzene;1-(difluoromethylsulfonyl)-4-propan-2-ylbenzene;1,2-dimethoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-propan-2-ylphenyl)propan-2-ol;1-methoxy-2-methylbenzene;1-(methoxymethyl)-2-methylbenzene;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;(3R)-3-(2-methoxy-4-propan-2-ylphenoxy)oxolane;2-methyl-1-(4-methylphenyl)propan-2-ol;(5-methyl-2-propan-2-yloxyphenyl)methanol;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-methyl-1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158709438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).