4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

C119H151Cl2F2N13O5 — CID 160635223

IUPAC4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
SMILESCC(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.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C
InChIInChI=1S/2C14H16O.C13H18N2O.C12H17N3.2C12H16N2.C11H13ClN2.C11H13FN2.C10H13ClO.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;1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;1-7-5-6-8-9(11(13)15-14-8)10(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;1-11(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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;5-6,16H,7H2,1-4H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-6,12H,1-3H3
InChIKeyRILJGJXOELNIIQ-UHFFFAOYSA-N
MW1952.50 g/mol
LogP32.12
Rot. Bonds1

About 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (PubChem CID 160635223) has the molecular formula C119H151Cl2F2N13O5 and a molecular weight of 1952.50 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
PubChem CID160635223
Molecular FormulaC119H151Cl2F2N13O5
Molecular Weight1952.50 g/mol
Exact Mass1950.13
IUPAC Name4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
SMILESCC(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.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C
InChIInChI=1S/2C14H16O.C13H18N2O.C12H17N3.2C12H16N2.C11H13ClN2.C11H13FN2.C10H13ClO.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;1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;1-7-5-6-8-9(11(13)15-14-8)10(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;1-11(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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;5-6,16H,7H2,1-4H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-6,12H,1-3H3
InChIKeyRILJGJXOELNIIQ-UHFFFAOYSA-N
XLogP32.12
TPSA299.25 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.50
LogP ≤ 532.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol with MolForge

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Related Compounds

3-tert-butyl-4-chlorophenol;bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazol-3-amine);bis(4-tert-butyl-5-methyl-1H-indazole);bis((4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol);3-tert-butyl-4-methylphenol;bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 158976115
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
bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 159778252
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
CID 160522033
4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;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 160580777
bis(3-tert-butyl-4-chlorophenol);bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazol-3-amine);bis(4-tert-butyl-5-methyl-1H-indazole);bis((4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 161748827
3-chloro-5-methyl-4-propan-2-yl-2H-indazole;5-chloro-4-propan-2-yl-1H-indazole;1-cyclopropyl-2-propan-2-ylbenzene;1-(difluoromethyl)-3-fluoro-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-2H-indazole;3-iodo-5-methyl-4-propan-2-yl-2H-indazole;2-methoxy-1-propan-2-ylnaphthalene;3-methoxy-1-propan-2-ylnaphthalene;5-methyl-4-propan-2-yl-1H-indazol-3-amine;5-methyl-4-propan-2-yl-1H-indazole;5-methyl-4-propan-2-yl-1H-indazole-3-carbonitrile;2-methyl-3-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;3-propan-2-yl-2H-indazole;4-propan-2-ylnaphthalen-2-ol
CID 167622659

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (CID 160635223) is 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;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.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The InChIKey is RILJGJXOELNIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16O.C13H18N2O.C12H17N3.2C12H16N2.C11H13ClN2.C11H13FN2.C10H13ClO.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;1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;1-7-5-6-8-9(11(13)15-14-8)10(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;1-11(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)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;5-6,16H,7H2,1-4H3,(H,14,15);5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-6,12H,1-3H3.
What are the key properties of 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol has a molecular weight of 1952.50 g/mol, XLogP of 32.12, 1 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 160635223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).