C180H263F7N2O16S2 — CID 160689439
1-butoxy-2-methyl-4-propan-2-ylbenzene;1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;N-cyclopropyl-4-propan-2-ylbenzenesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile (PubChem CID 160689439) has the molecular formula C180H263F7N2O16S2 and a molecular weight of 2908.20 g/mol. Its IUPAC name is 1-butoxy-2-methyl-4-propan-2-ylbenzene;1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;N-cyclopropyl-4-propan-2-ylbenzenesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile.
| Compound Name | 1-butoxy-2-methyl-4-propan-2-ylbenzene;1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;N-cyclopropyl-4-propan-2-ylbenzenesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile |
|---|---|
| PubChem CID | 160689439 |
| Molecular Formula | C180H263F7N2O16S2 |
| Molecular Weight | 2908.20 g/mol |
| Exact Mass | 2905.92 |
| IUPAC Name | 1-butoxy-2-methyl-4-propan-2-ylbenzene;1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-tert-butyl-4-propan-2-ylbenzene;N-cyclopropyl-4-propan-2-ylbenzenesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(1-fluoroethylsulfonyl)-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpropan-2-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile |
| SMILES | CC(C)Oc1ccc(C(C)C)cc1C#N.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(CC(C)(C)O)c(F)c1.CC(C)c1ccc(OCC(C)(C)C)cc1.CC(C)c1ccc(S(=O)(=O)C(C)F)cc1.CC(C)c1ccc(S(=O)(=O)NC2CC2)cc1.CC(C)c1ccccc1OC(F)F.CCCCOc1ccc(C(C)C)cc1C.CCc1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.COc1ccc(C(C)C)cc1C(F)(F)F |
| InChI | InChI=1S/C15H24O2.C14H22O2.C14H20O.3C14H22O.C13H19FO.C13H17NO.C13H20.C12H17NO2S.C12H18.C11H13F3O.C11H15FO2S.C10H12F2O/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-11(2)12-6-8-13(9-7-12)15-10-14(3,4)5;1-5-6-9-15-14-8-7-13(11(2)3)10-12(14)4;1-9(2)10-5-6-11(12(14)7-10)8-13(3,4)15;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)10-3-7-12(8-4-10)16(14,15)13-11-5-6-11;1-5-11-6-7-12(9(2)3)8-10(11)4;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)10-4-6-11(7-5-10)15(13,14)9(3)12;1-7(2)8-5-3-4-6-9(8)13-10(11)12/h6-7,10-12H,8-9H2,1-5H3;7-10H,1-6H3;5-8,11,15H,3-4,9-10H2,1-2H3;7-10H,1-6H3;6-9,11H,10H2,1-5H3;7-8,10-11H,5-6,9H2,1-4H3;5-7,9,15H,8H2,1-4H3;5-7,9-10H,1-4H3;6-10H,1-5H3;3-4,7-9,11,13H,5-6H2,1-2H3;6-9H,5H2,1-4H3;4-7H,1-3H3;4-9H,1-3H3;3-7,10H,1-2H3 |
| InChIKey | RPFFAFCGWUBHMJ-UHFFFAOYSA-N |
| XLogP | 51.38 |
| TPSA | 236.86 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2908.20 |
| LogP ≤ 5 | 51.38 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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