2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol

C16H15N3O — CID 54142122

IUPAC2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C=Cn2nc3ccccc3n2)c1
InChIInChI=1S/C16H15N3O/c1-11-9-12(2)16(20)13(10-11)7-8-19-17-14-5-3-4-6-15(14)18-19/h3-10,20H,1-2H3
InChIKeyOBVBKQWZERUSAG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.38
Rot. Bonds2

About 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol

2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol (PubChem CID 54142122) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol
PubChem CID54142122
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C=Cn2nc3ccccc3n2)c1
InChIInChI=1S/C16H15N3O/c1-11-9-12(2)16(20)13(10-11)7-8-19-17-14-5-3-4-6-15(14)18-19/h3-10,20H,1-2H3
InChIKeyOBVBKQWZERUSAG-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol 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-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol?
The IUPAC name of 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol (CID 54142122) is 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C=Cn2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol?
The InChIKey is OBVBKQWZERUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-9-12(2)16(20)13(10-11)7-8-19-17-14-5-3-4-6-15(14)18-19/h3-10,20H,1-2H3.
What are the key properties of 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol?
2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol has a molecular weight of 265.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)ethenyl]-4,6-dimethylphenol is sourced from PubChem (CID 54142122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).