2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol

C20H24FN3O — CID 22034036

IUPAC2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(F)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24FN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
InChIKeyFXKFDOGNWSKGGJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.86
Rot. Bonds1

About 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol

2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol (PubChem CID 22034036) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol
PubChem CID22034036
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(F)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24FN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
InChIKeyFXKFDOGNWSKGGJ-UHFFFAOYSA-N
XLogP4.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
Bisoctrizole
CID 3571576
UV-328
CID 33263
Tinuvin
CID 62531
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CID 77470
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
Drometrizole trisiloxane
CID 9848888
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol (CID 22034036) is 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol is CC(C)(C)c1cc(-n2nc3ccc(F)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol?
The InChIKey is FXKFDOGNWSKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol?
2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol has a molecular weight of 341.43 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(5-fluorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 22034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).