2-(2H-benzotriazol-4-yloxy)-6-methylphenol

C13H11N3O2 — CID 175070691

IUPAC2-(2H-benzotriazol-4-yloxy)-6-methylphenol
SMILESCc1cccc(Oc2cccc3n[nH]nc23)c1O
InChIInChI=1S/C13H11N3O2/c1-8-4-2-7-11(13(8)17)18-10-6-3-5-9-12(10)15-16-14-9/h2-7,17H,1H3,(H,14,15,16)
InChIKeyIJAUMKCJFBSIMQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.76
Rot. Bonds2

About 2-(2H-benzotriazol-4-yloxy)-6-methylphenol

2-(2H-benzotriazol-4-yloxy)-6-methylphenol (PubChem CID 175070691) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2H-benzotriazol-4-yloxy)-6-methylphenol.

Molecular Properties

Compound Name2-(2H-benzotriazol-4-yloxy)-6-methylphenol
PubChem CID175070691
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(2H-benzotriazol-4-yloxy)-6-methylphenol
SMILESCc1cccc(Oc2cccc3n[nH]nc23)c1O
InChIInChI=1S/C13H11N3O2/c1-8-4-2-7-11(13(8)17)18-10-6-3-5-9-12(10)15-16-14-9/h2-7,17H,1H3,(H,14,15,16)
InChIKeyIJAUMKCJFBSIMQ-UHFFFAOYSA-N
XLogP2.76
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2H-benzotriazol-4-yloxy)-6-methylphenol 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-(2H-benzotriazol-4-yloxy)-6-methylphenol?
The IUPAC name of 2-(2H-benzotriazol-4-yloxy)-6-methylphenol (CID 175070691) is 2-(2H-benzotriazol-4-yloxy)-6-methylphenol.
What is the SMILES notation for 2-(2H-benzotriazol-4-yloxy)-6-methylphenol?
The canonical SMILES for 2-(2H-benzotriazol-4-yloxy)-6-methylphenol is Cc1cccc(Oc2cccc3n[nH]nc23)c1O.
What is the InChIKey of 2-(2H-benzotriazol-4-yloxy)-6-methylphenol?
The InChIKey is IJAUMKCJFBSIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-2-7-11(13(8)17)18-10-6-3-5-9-12(10)15-16-14-9/h2-7,17H,1H3,(H,14,15,16).
What are the key properties of 2-(2H-benzotriazol-4-yloxy)-6-methylphenol?
2-(2H-benzotriazol-4-yloxy)-6-methylphenol has a molecular weight of 241.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-4-yloxy)-6-methylphenol is sourced from PubChem (CID 175070691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).