6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol

C24H32ClN3O — CID 154015278

IUPAC6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(C(C)(C)C)c(O)c1-n1nc2ccc(Cl)cc2n1
InChIInChI=1S/C24H32ClN3O/c1-22(2,3)14-24(7,8)16-10-11-17(23(4,5)6)21(29)20(16)28-26-18-12-9-15(25)13-19(18)27-28/h9-13,29H,14H2,1-8H3
InChIKeyYDICBXZDVWOYGX-UHFFFAOYSA-N
MW413.99 g/mol
LogP6.79
Rot. Bonds3

About 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol

6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 154015278) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID154015278
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(C(C)(C)C)c(O)c1-n1nc2ccc(Cl)cc2n1
InChIInChI=1S/C24H32ClN3O/c1-22(2,3)14-24(7,8)16-10-11-17(23(4,5)6)21(29)20(16)28-26-18-12-9-15(25)13-19(18)27-28/h9-13,29H,14H2,1-8H3
InChIKeyYDICBXZDVWOYGX-UHFFFAOYSA-N
XLogP6.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 19611890
2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetohydrazide
CID 139839139
2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 57193432
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-[4-(aminomethyl)-2-(5-chlorobenzotriazol-2-yl)phenyl]-2-methylpropan-1-ol
CID 174785716
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
2,6-ditert-butyl-4-[[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 88766235
2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol
CID 102189066
2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol
CID 88632349
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-tert-butyl-2-[[5-tert-butyl-2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-6-(5-methylbenzotriazol-2-yl)phenol;2-(5-chlorobenzotriazol-2-yl)-6-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenol;2-(5-chlorobenzotriazol-2-yl)-6-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159197986
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol (CID 154015278) is 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(C(C)(C)C)c(O)c1-n1nc2ccc(Cl)cc2n1.
What is the InChIKey of 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is YDICBXZDVWOYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-22(2,3)14-24(7,8)16-10-11-17(23(4,5)6)21(29)20(16)28-26-18-12-9-15(25)13-19(18)27-28/h9-13,29H,14H2,1-8H3.
What are the key properties of 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol?
6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 413.99 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 154015278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).