2-(5-methylbenzotriazol-2-yl)phenol

C13H11N3O — CID 11031523

IUPAC2-(5-methylbenzotriazol-2-yl)phenol
SMILESCc1ccc2nn(-c3ccccc3O)nc2c1
InChIInChI=1S/C13H11N3O/c1-9-6-7-10-11(8-9)15-16(14-10)12-4-2-3-5-13(12)17/h2-8,17H,1H3
InChIKeyOPBKPBFMNZCNJJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds1

About 2-(5-methylbenzotriazol-2-yl)phenol

2-(5-methylbenzotriazol-2-yl)phenol (PubChem CID 11031523) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(5-methylbenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-methylbenzotriazol-2-yl)phenol
PubChem CID11031523
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(5-methylbenzotriazol-2-yl)phenol
SMILESCc1ccc2nn(-c3ccccc3O)nc2c1
InChIInChI=1S/C13H11N3O/c1-9-6-7-10-11(8-9)15-16(14-10)12-4-2-3-5-13(12)17/h2-8,17H,1H3
InChIKeyOPBKPBFMNZCNJJ-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzotriazol-2-yl)phenol?
The IUPAC name of 2-(5-methylbenzotriazol-2-yl)phenol (CID 11031523) is 2-(5-methylbenzotriazol-2-yl)phenol.
What is the SMILES notation for 2-(5-methylbenzotriazol-2-yl)phenol?
The canonical SMILES for 2-(5-methylbenzotriazol-2-yl)phenol is Cc1ccc2nn(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-(5-methylbenzotriazol-2-yl)phenol?
The InChIKey is OPBKPBFMNZCNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-7-10-11(8-9)15-16(14-10)12-4-2-3-5-13(12)17/h2-8,17H,1H3.
What are the key properties of 2-(5-methylbenzotriazol-2-yl)phenol?
2-(5-methylbenzotriazol-2-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzotriazol-2-yl)phenol is sourced from PubChem (CID 11031523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).