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

C155H206ClF2N19O4 — CID 160522033

IUPAC3-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
SMILESCC(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
InChIInChI=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
InChIKeyQUKAUKLGQFHQEP-UHFFFAOYSA-N
MW2472.93 g/mol
LogP41.87
Rot. Bonds

About 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

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.

Molecular Properties

Compound Name3-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 CID160522033
Molecular FormulaC155H206ClF2N19O4
Molecular Weight2472.93 g/mol
Exact Mass2470.62
IUPAC Name3-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
SMILESCC(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
InChIInChI=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
InChIKeyQUKAUKLGQFHQEP-UHFFFAOYSA-N
XLogP41.87
TPSA365.06 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002472.93
LogP ≤ 541.87
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is QUKAUKLGQFHQEP-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 2472.93 g/mol, XLogP of 41.87, 0 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160522033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).