2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
C209H248Cl2F6N2O4S2 — CID 158847347
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 158847347) has the molecular formula C209H248Cl2F6N2O4S2 and a molecular weight of 3101.32 g/mol. Its IUPAC name is 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene.
Molecular Properties
| Compound Name | 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene |
|---|---|
| PubChem CID | 158847347 |
| Molecular Formula | C209H248Cl2F6N2O4S2 |
| Molecular Weight | 3101.32 g/mol |
| Exact Mass | 3097.80 |
| IUPAC Name | 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene |
| SMILES | CC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)Cc1ccc(-c2ccc(Cl)s2)cc1.CC(C)(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)Cc1ccc(-c2cccc(CO)c2)cc1.CC(C)(C)Cc1ccc(-c2cccnc2)cc1.CC(C)(C)Cc1ccc(-c2ccncc2)cc1.CC(C)(C)Cc1ccc(-c2csc(Cl)c2)cc1.CCc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.CCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(CC(C)(C)C)cc2)c1 |
| InChI | InChI=1S/C19H24O.2C19H24.2C18H19F3.3C18H22O.2C16H19N.2C15H17ClS/c1-19(2,3)13-15-8-10-17(11-9-15)18-7-5-6-16(12-18)14-20-4;1-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(2,3)4;1-5-15-7-6-8-18(13-15)17-11-9-16(10-12-17)14-19(2,3)4;1-17(2,3)12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21;1-17(2,3)12-13-7-9-14(10-8-13)15-5-4-6-16(11-15)18(19,20)21;1-18(2,3)13-14-5-7-15(8-6-14)16-9-11-17(19-4)12-10-16;1-18(2,3)13-14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-4;1-18(2,3)12-14-7-9-16(10-8-14)17-6-4-5-15(11-17)13-19;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)9-11-4-6-12(7-5-11)13-8-14(16)17-10-13;1-15(2,3)10-11-4-6-12(7-5-11)13-8-9-14(16)17-13/h5-12H,13-14H2,1-4H3;2*6-13H,5,14H2,1-4H3;2*4-11H,12H2,1-3H3;2*5-12H,13H2,1-4H3;4-11,19H,12-13H2,1-3H3;4-11H,12H2,1-3H3;4-10,12H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3 |
| InChIKey | IYZQHUZVWVQMRP-UHFFFAOYSA-N |
| XLogP | 62.34 |
| TPSA | 73.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 225 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3101.32 |
| LogP ≤ 5 | 62.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Sources
- PubChem CID 158847347 — identifiers, structure, computed properties (public domain)
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