C145H193Br2ClF15N5O13S — CID 161249781
2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol (PubChem CID 161249781) has the molecular formula C145H193Br2ClF15N5O13S and a molecular weight of 2726.46 g/mol. Its IUPAC name is 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol.
| Compound Name | 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol |
|---|---|
| PubChem CID | 161249781 |
| Molecular Formula | C145H193Br2ClF15N5O13S |
| Molecular Weight | 2726.46 g/mol |
| Exact Mass | 2722.21 |
| IUPAC Name | 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol |
| SMILES | CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.COc1cc(CC(C)C)ccc1F |
| InChI | InChI=1S/C14H22O.C13H19FO.C11H12ClF3O.C11H12F4.C11H13F3O.C11H14FNO.C11H15FO.C11H16N2O.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3 |
| InChIKey | VBCRMTNJXHDORX-UHFFFAOYSA-N |
| XLogP | 41.14 |
| TPSA | 316.31 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2726.46 |
| LogP ≤ 5 | 41.14 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 13 |