2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol

C20H24ClN3O — CID 142648076

IUPAC2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CC(C)C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H24ClN3O/c1-12(2)7-14-9-15(8-13(3)4)20(25)19(10-14)24-22-17-6-5-16(21)11-18(17)23-24/h5-6,9-13,25H,7-8H2,1-4H3
InChIKeyGQBVYVBUBHJKRP-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.18
Rot. Bonds5

About 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol

2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol (PubChem CID 142648076) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol
PubChem CID142648076
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CC(C)C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H24ClN3O/c1-12(2)7-14-9-15(8-13(3)4)20(25)19(10-14)24-22-17-6-5-16(21)11-18(17)23-24/h5-6,9-13,25H,7-8H2,1-4H3
InChIKeyGQBVYVBUBHJKRP-UHFFFAOYSA-N
XLogP5.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol (CID 142648076) is 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol is CC(C)Cc1cc(CC(C)C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol?
The InChIKey is GQBVYVBUBHJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-12(2)7-14-9-15(8-13(3)4)20(25)19(10-14)24-22-17-6-5-16(21)11-18(17)23-24/h5-6,9-13,25H,7-8H2,1-4H3.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol?
2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol has a molecular weight of 357.89 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)-4,6-bis(2-methylpropyl)phenol is sourced from PubChem (CID 142648076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).