4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

C84H103ClF2N8O3 — CID 159176019

About 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (PubChem CID 159176019) has the molecular formula C84H103ClF2N8O3 and a molecular weight of 1346.25 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.

Molecular Properties

• Compound Name: 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
• PubChem CID: 159176019
• Molecular Formula: C84H103ClF2N8O3
• Molecular Weight: 1346.25 g/mol
• Exact Mass: 1344.78
• IUPAC Name: 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
• SMILES: CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C
• InChI: InChI=1S/2C14H16O.2C12H16N2.C11H13ClN2.C11H13FN2.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;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;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-6,12H,1-3H3
• InChIKey: KMHBNXNEFXXUON-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 175.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.25
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?

The IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (CID 159176019) is 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.

What is the SMILES notation for 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?

The canonical SMILES for 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol is CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?

The InChIKey is KMHBNXNEFXXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16O.2C12H16N2.C11H13ClN2.C11H13FN2.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;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;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-6,12H,1-3H3.

What are the key properties of 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?

4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol has a molecular weight of 1346.25 g/mol, XLogP of 23.37, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 159176019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).