2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol

C18H19N3O — CID 59815222

IUPAC2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
SMILESC=Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H19N3O/c1-5-12-10-13(18(2,3)4)17(22)16(11-12)21-19-14-8-6-7-9-15(14)20-21/h5-11,22H,1H2,2-4H3
InChIKeyRFMSIPBKCJVVNE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.07
Rot. Bonds2

About 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol

2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol (PubChem CID 59815222) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
PubChem CID59815222
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
SMILESC=Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H19N3O/c1-5-12-10-13(18(2,3)4)17(22)16(11-12)21-19-14-8-6-7-9-15(14)20-21/h5-11,22H,1H2,2-4H3
InChIKeyRFMSIPBKCJVVNE-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol (CID 59815222) is 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol is C=Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol?
The InChIKey is RFMSIPBKCJVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-5-12-10-13(18(2,3)4)17(22)16(11-12)21-19-14-8-6-7-9-15(14)20-21/h5-11,22H,1H2,2-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol?
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol has a molecular weight of 293.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol is sourced from PubChem (CID 59815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).