2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol

C20H24ClN3O — CID 22165805

IUPAC2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1c(O)ccc(-n2nc3ccc(Cl)cc3n2)c1C(C)(C)C
InChIInChI=1S/C20H24ClN3O/c1-19(2,3)17-15(9-10-16(25)18(17)20(4,5)6)24-22-13-8-7-12(21)11-14(13)23-24/h7-11,25H,1-6H3
InChIKeyPSQXTGDZBZVFHX-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.37
Rot. Bonds1

About 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol

2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol (PubChem CID 22165805) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
PubChem CID22165805
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1c(O)ccc(-n2nc3ccc(Cl)cc3n2)c1C(C)(C)C
InChIInChI=1S/C20H24ClN3O/c1-19(2,3)17-15(9-10-16(25)18(17)20(4,5)6)24-22-13-8-7-12(21)11-14(13)23-24/h7-11,25H,1-6H3
InChIKeyPSQXTGDZBZVFHX-UHFFFAOYSA-N
XLogP5.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2,3-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 19611890
2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 57193432
2,6-ditert-butyl-4-[[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 88766235
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-3-(5-propyloctyl)phenol
CID 87587889
N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
CID 166031560
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
CID 168899497
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
CID 54559127
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The IUPAC name of 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol (CID 22165805) is 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The canonical SMILES for 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol is CC(C)(C)c1c(O)ccc(-n2nc3ccc(Cl)cc3n2)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The InChIKey is PSQXTGDZBZVFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-19(2,3)17-15(9-10-16(25)18(17)20(4,5)6)24-22-13-8-7-12(21)11-14(13)23-24/h7-11,25H,1-6H3.
What are the key properties of 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol has a molecular weight of 357.89 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 22165805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).