4-(benzotriazol-2-yl)-2-methoxyphenol

C13H11N3O2 — CID 23329648

IUPAC4-(benzotriazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C13H11N3O2/c1-18-13-8-9(6-7-12(13)17)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyVTXBDSABJSMKCA-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.13
Rot. Bonds2

About 4-(benzotriazol-2-yl)-2-methoxyphenol

4-(benzotriazol-2-yl)-2-methoxyphenol (PubChem CID 23329648) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-2-methoxyphenol
PubChem CID23329648
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-(benzotriazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C13H11N3O2/c1-18-13-8-9(6-7-12(13)17)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyVTXBDSABJSMKCA-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(benzotriazol-2-yl)-2-methoxyphenol 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 4-(benzotriazol-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(benzotriazol-2-yl)-2-methoxyphenol (CID 23329648) is 4-(benzotriazol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(benzotriazol-2-yl)-2-methoxyphenol is COc1cc(-n2nc3ccccc3n2)ccc1O.
What is the InChIKey of 4-(benzotriazol-2-yl)-2-methoxyphenol?
The InChIKey is VTXBDSABJSMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-13-8-9(6-7-12(13)17)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3.
What are the key properties of 4-(benzotriazol-2-yl)-2-methoxyphenol?
4-(benzotriazol-2-yl)-2-methoxyphenol has a molecular weight of 241.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 23329648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).