C208H281ClF2O12S — CID 159578164
1-butan-2-yloxy-2-methoxy-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-propan-2-yloxybenzene;1-cyclobutyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene;2-fluoro-4-propan-2-yl-1-propan-2-yloxybenzene;2-methoxy-1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-(4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-prop-1-en-2-ylbenzene;1-phenoxy-2-propan-2-ylbenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene (PubChem CID 159578164) has the molecular formula C208H281ClF2O12S and a molecular weight of 3079.04 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-methoxy-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-propan-2-yloxybenzene;1-cyclobutyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene;2-fluoro-4-propan-2-yl-1-propan-2-yloxybenzene;2-methoxy-1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-(4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-prop-1-en-2-ylbenzene;1-phenoxy-2-propan-2-ylbenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene.
| Compound Name | 1-butan-2-yloxy-2-methoxy-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-propan-2-yloxybenzene;1-cyclobutyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene;2-fluoro-4-propan-2-yl-1-propan-2-yloxybenzene;2-methoxy-1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-(4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-prop-1-en-2-ylbenzene;1-phenoxy-2-propan-2-ylbenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene |
|---|---|
| PubChem CID | 159578164 |
| Molecular Formula | C208H281ClF2O12S |
| Molecular Weight | 3079.04 g/mol |
| Exact Mass | 3076.08 |
| IUPAC Name | 1-butan-2-yloxy-2-methoxy-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-propan-2-yloxybenzene;1-cyclobutyl-2-methyl-4-propan-2-ylbenzene;1-ethylsulfonyl-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene;2-fluoro-4-propan-2-yl-1-propan-2-yloxybenzene;2-methoxy-1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-(4-propan-2-ylphenyl)propan-2-ol;2-methyl-4-propan-2-yl-1-prop-1-en-2-ylbenzene;1-phenoxy-2-propan-2-ylbenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene |
| SMILES | C=C(C)c1ccc(C(C)C)cc1C.CC(C)Oc1ccc(C(C)C)c(F)c1.CC(C)Oc1ccc(C(C)C)cc1Cl.CC(C)Oc1ccc(C(C)C)cc1F.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(CC(C)(C)O)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1Oc1ccccc1.CCC(C)(C)c1ccc(C(C)C)cc1OC.CCC(C)Oc1ccc(C(C)C)cc1OC.CCS(=O)(=O)c1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1C.Cc1cc(C(C)C)ccc1C1CCC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1 |
| InChI | InChI=1S/2C15H16O.C15H24O.2C15H16.C14H22O2.C14H20.C13H20O.C13H18.C12H17ClO.2C12H17FO.C12H18O2S.C11H16O.2C10H14/c1-12(2)14-10-6-7-11-15(14)16-13-8-4-3-5-9-13;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-7-15(4,5)13-9-8-12(11(2)3)10-14(13)16-6;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-6-11(4)16-13-8-7-12(10(2)3)9-14(13)15-5;1-10(2)13-7-8-14(11(3)9-13)12-5-4-6-12;1-10(2)12-7-5-11(6-8-12)9-13(3,4)14;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-8(2)10-5-6-12(11(13)7-10)14-9(3)4;1-8(2)11-6-5-10(7-12(11)13)14-9(3)4;1-8(2)10-5-6-12(11(13)7-10)14-9(3)4;1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4;1-8(2)10-6-5-9(3)11(7-10)12-4;2*1-8(2)10-6-4-9(3)5-7-10/h2*3-12H,1-2H3;8-11H,7H2,1-6H3;2*3-12H,1-2H3;7-11H,6H2,1-5H3;7-10,12H,4-6H2,1-3H3;5-8,10,14H,9H2,1-4H3;6-9H,3H2,1-2,4-5H3;3*5-9H,1-4H3;6-9H,5H2,1-4H3;5-8H,1-4H3;2*4-8H,1-3H3 |
| InChIKey | MIRANZMDQXMZFT-UHFFFAOYSA-N |
| XLogP | 62.32 |
| TPSA | 137.44 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3079.04 |
| LogP ≤ 5 | 62.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |