C170H246F5NO22S — CID 159910029
1-(difluoromethoxy)-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-(2-methyl-4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile;(5-propan-2-yl-2-propan-2-yloxyphenyl)methanol;1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 159910029) has the molecular formula C170H246F5NO22S and a molecular weight of 2782.88 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-(2-methyl-4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile;(5-propan-2-yl-2-propan-2-yloxyphenyl)methanol;1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene.
| Compound Name | 1-(difluoromethoxy)-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-(2-methyl-4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile;(5-propan-2-yl-2-propan-2-yloxyphenyl)methanol;1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene |
|---|---|
| PubChem CID | 159910029 |
| Molecular Formula | C170H246F5NO22S |
| Molecular Weight | 2782.88 g/mol |
| Exact Mass | 2780.78 |
| IUPAC Name | 1-(difluoromethoxy)-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-ol;2-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol;2-methoxy-4-propan-2-yl-1-propan-2-yloxybenzene;3-(2-methyl-4-propan-2-ylphenoxy)oxetane;2-(2-methyl-4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;5-propan-2-yl-2-propan-2-yloxybenzonitrile;(5-propan-2-yl-2-propan-2-yloxyphenyl)methanol;1-propan-2-yl-4-propan-2-ylsulfonylbenzene;1-propan-2-yl-2-(trifluoromethoxy)benzene |
| SMILES | CC(C)Oc1ccc(C(C)C)cc1C#N.CC(C)Oc1ccc(C(C)C)cc1CO.CC(C)c1ccc(S(=O)(=O)C(C)C)cc1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.COc1cc(C(C)C)ccc1C(C)(C)CO.COc1cc(C(C)C)ccc1C(C)(C)O.COc1cc(C(C)C)ccc1OC(C)C.COc1cc(C(C)C)ccc1OCCO.COc1ccc(C(C)C)cc1C.COc1ccccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)(C)O.Cc1cc(C(C)C)ccc1OC(C)C.Cc1cc(C(C)C)ccc1OC1COC1 |
| InChI | InChI=1S/C14H22O2.C13H17NO.C13H18O2.3C13H20O2.2C13H20O.C12H18O3.C12H18O2S.C11H16O.C10H11F3O.C10H12F2O.C10H14O/c1-10(2)11-6-7-12(13(8-11)16-5)14(3,4)9-15;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-9(2)11-4-5-13(10(3)6-11)15-12-7-14-8-12;1-9(2)10-6-7-11(13(3,4)14)12(8-10)15-5;1-9(2)11-6-7-12(15-10(3)4)13(8-11)14-5;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-9(2)11-6-7-12(10(3)8-11)13(4,5)14;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-9(2)10-4-5-11(15-7-6-13)12(8-10)14-3;1-9(2)11-5-7-12(8-6-11)15(13,14)10(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)9-6-4-5-7-10(9)11-3/h6-8,10,15H,9H2,1-5H3;5-7,9-10H,1-4H3;4-6,9,12H,7-8H2,1-3H3;6-9,14H,1-5H3;6-10H,1-5H3;5-7,9-10,14H,8H2,1-4H3;6-9,14H,1-5H3;6-10H,1-5H3;4-5,8-9,13H,6-7H2,1-3H3;5-10H,1-4H3;5-8H,1-4H3;3-7H,1-2H3;3-7,10H,1-2H3;4-8H,1-3H3 |
| InChIKey | NXBMRFBICOCELZ-UHFFFAOYSA-N |
| XLogP | 44.69 |
| TPSA | 297.53 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2782.88 |
| LogP ≤ 5 | 44.69 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |