4-(benzotriazol-1-yl)phenol

C12H9N3O — CID 57164318

IUPAC4-(benzotriazol-1-yl)phenol
SMILESOc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C12H9N3O/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)13-14-15/h1-8,16H
InChIKeyOGTQJMALTRZWID-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.13
Rot. Bonds1

About 4-(benzotriazol-1-yl)phenol

4-(benzotriazol-1-yl)phenol (PubChem CID 57164318) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)phenol
PubChem CID57164318
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(benzotriazol-1-yl)phenol
SMILESOc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C12H9N3O/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)13-14-15/h1-8,16H
InChIKeyOGTQJMALTRZWID-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 4-(benzotriazol-1-yl)phenol?
The IUPAC name of 4-(benzotriazol-1-yl)phenol (CID 57164318) is 4-(benzotriazol-1-yl)phenol.
What is the SMILES notation for 4-(benzotriazol-1-yl)phenol?
The canonical SMILES for 4-(benzotriazol-1-yl)phenol is Oc1ccc(-n2nnc3ccccc32)cc1.
What is the InChIKey of 4-(benzotriazol-1-yl)phenol?
The InChIKey is OGTQJMALTRZWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-10-7-5-9(6-8-10)15-12-4-2-1-3-11(12)13-14-15/h1-8,16H.
What are the key properties of 4-(benzotriazol-1-yl)phenol?
4-(benzotriazol-1-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 4-(benzotriazol-1-yl)phenol is sourced from PubChem (CID 57164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).