C155H206ClF2N19O4 — CID 160522033
3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol (PubChem CID 160522033) has the molecular formula C155H206ClF2N19O4 and a molecular weight of 2472.93 g/mol. Its IUPAC name is 3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol.
| Compound Name | 3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol |
|---|---|
| PubChem CID | 160522033 |
| Molecular Formula | C155H206ClF2N19O4 |
| Molecular Weight | 2472.93 g/mol |
| Exact Mass | 2470.62 |
| IUPAC Name | 3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol |
| SMILES | CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1cccc2[nH]ccc12.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C |
| InChI | InChI=1S/C14H16O.3C13H18N2.C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C10H13ClO.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;3*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h4-9,15H,1-3H3;3*6-7H,1-5H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);2*4-6,12H,1-3H3 |
| InChIKey | QUKAUKLGQFHQEP-UHFFFAOYSA-N |
| XLogP | 41.87 |
| TPSA | 365.06 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2472.93 |
| LogP ≤ 5 | 41.87 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 14 |