2-(benzotriazol-2-yl)phenol

C12H9N3O — CID 10198220

IUPAC2-(benzotriazol-2-yl)phenol
SMILESOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15/h1-8,16H
InChIKeyFJGQBLRYBUAASW-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.13
Rot. Bonds1

About 2-(benzotriazol-2-yl)phenol

2-(benzotriazol-2-yl)phenol (PubChem CID 10198220) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)phenol
PubChem CID10198220
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-(benzotriazol-2-yl)phenol
SMILESOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15/h1-8,16H
InChIKeyFJGQBLRYBUAASW-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)phenol (CID 10198220) is 2-(benzotriazol-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)phenol is Oc1ccccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)phenol?
The InChIKey is FJGQBLRYBUAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15/h1-8,16H.
What are the key properties of 2-(benzotriazol-2-yl)phenol?
2-(benzotriazol-2-yl)phenol has a molecular weight of 211.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)phenol is sourced from PubChem (CID 10198220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).