C210H299Cl3F10O14 — CID 159618433
tert-butylbenzene;bis(1-tert-butyl-3-chlorobenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-3-(cyclobutylmethoxy)benzene;1-tert-butyl-3-cyclopentyloxybenzene;1-tert-butyl-3-(cyclopropylmethoxy)benzene;1-tert-butyl-3-(2,2-difluoroethoxy)benzene;4-tert-butyl-2-(difluoromethoxy)-1-fluorobenzene;1-tert-butyl-3-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methoxy-5-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-(2-methylpropoxy)benzene;1-(3-tert-butylphenoxy)-2-methylpropan-2-ol (PubChem CID 159618433) has the molecular formula C210H299Cl3F10O14 and a molecular weight of 3344.03 g/mol. Its IUPAC name is tert-butylbenzene;bis(1-tert-butyl-3-chlorobenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-3-(cyclobutylmethoxy)benzene;1-tert-butyl-3-cyclopentyloxybenzene;1-tert-butyl-3-(cyclopropylmethoxy)benzene;1-tert-butyl-3-(2,2-difluoroethoxy)benzene;4-tert-butyl-2-(difluoromethoxy)-1-fluorobenzene;1-tert-butyl-3-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methoxy-5-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-(2-methylpropoxy)benzene;1-(3-tert-butylphenoxy)-2-methylpropan-2-ol.
| Compound Name | tert-butylbenzene;bis(1-tert-butyl-3-chlorobenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-3-(cyclobutylmethoxy)benzene;1-tert-butyl-3-cyclopentyloxybenzene;1-tert-butyl-3-(cyclopropylmethoxy)benzene;1-tert-butyl-3-(2,2-difluoroethoxy)benzene;4-tert-butyl-2-(difluoromethoxy)-1-fluorobenzene;1-tert-butyl-3-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methoxy-5-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-(2-methylpropoxy)benzene;1-(3-tert-butylphenoxy)-2-methylpropan-2-ol |
|---|---|
| PubChem CID | 159618433 |
| Molecular Formula | C210H299Cl3F10O14 |
| Molecular Weight | 3344.03 g/mol |
| Exact Mass | 3340.16 |
| IUPAC Name | tert-butylbenzene;bis(1-tert-butyl-3-chlorobenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-3-(cyclobutylmethoxy)benzene;1-tert-butyl-3-cyclopentyloxybenzene;1-tert-butyl-3-(cyclopropylmethoxy)benzene;1-tert-butyl-3-(2,2-difluoroethoxy)benzene;4-tert-butyl-2-(difluoromethoxy)-1-fluorobenzene;1-tert-butyl-3-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methoxy-5-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-(2-methylpropoxy)benzene;1-(3-tert-butylphenoxy)-2-methylpropan-2-ol |
| SMILES | CC(C)(C)COc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OC(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(OC2CCCC2)c1.CC(C)(C)c1cccc(OCC(F)F)c1.CC(C)(C)c1cccc(OCC2CC2)c1.CC(C)(C)c1cccc(OCC2CCC2)c1.CC(C)(C)c1ccccc1.CC(C)(O)COc1cccc(C(C)(C)C)c1.CC(C)COc1cc(C(C)(C)C)ccc1F.CC(C)COc1cccc(C(C)(C)C)c1.COc1cc(C)cc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cc1C.COc1cccc(C(C)(C)C)c1 |
| InChI | InChI=1S/2C15H22O.C15H24O.C14H21FO.C14H22O2.C14H20O.C14H22O.C12H16F2O.2C12H18O.C11H12F4O.C11H13F3O.C11H16O.3C10H13Cl.C10H14/c1-15(2,3)13-8-5-9-14(10-13)16-11-12-6-4-7-12;1-15(2,3)12-7-6-10-14(11-12)16-13-8-4-5-9-13;1-14(2,3)11-16-13-9-7-8-12(10-13)15(4,5)6;1-10(2)9-16-13-8-11(14(3,4)5)6-7-12(13)15;1-13(2,3)11-7-6-8-12(9-11)16-10-14(4,5)15;1-14(2,3)12-5-4-6-13(9-12)15-10-11-7-8-11;1-11(2)10-15-13-8-6-7-12(9-13)14(3,4)5;1-12(2,3)9-5-4-6-10(7-9)15-8-11(13)14;1-9-6-10(12(2,3)4)8-11(7-9)13-5;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)7-4-5-8(12)9(6-7)16-11(13,14)15;1-11(2,3)7-4-5-8(12)9(6-7)15-10(13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h5,8-10,12H,4,6-7,11H2,1-3H3;6-7,10-11,13H,4-5,8-9H2,1-3H3;7-10H,11H2,1-6H3;6-8,10H,9H2,1-5H3;6-9,15H,10H2,1-5H3;4-6,9,11H,7-8,10H2,1-3H3;6-9,11H,10H2,1-5H3;4-7,11H,8H2,1-3H3;2*6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3 |
| InChIKey | MNOWRQNEQOQYCO-UHFFFAOYSA-N |
| XLogP | 62.83 |
| TPSA | 140.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 237 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3344.03 |
| LogP ≤ 5 | 62.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |