4-phenyl-2H-benzotriazol-5-ol

C12H9N3O — CID 135976854

IUPAC4-phenyl-2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C12H9N3O/c16-10-7-6-9-12(14-15-13-9)11(10)8-4-2-1-3-5-8/h1-7,16H,(H,13,14,15)
InChIKeyZCILGMFPJBRCNO-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.33
Rot. Bonds1

About 4-phenyl-2H-benzotriazol-5-ol

4-phenyl-2H-benzotriazol-5-ol (PubChem CID 135976854) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-phenyl-2H-benzotriazol-5-ol.

Molecular Properties

Compound Name4-phenyl-2H-benzotriazol-5-ol
PubChem CID135976854
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-phenyl-2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C12H9N3O/c16-10-7-6-9-12(14-15-13-9)11(10)8-4-2-1-3-5-8/h1-7,16H,(H,13,14,15)
InChIKeyZCILGMFPJBRCNO-UHFFFAOYSA-N
XLogP2.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2H-benzotriazol-5-ol?
The IUPAC name of 4-phenyl-2H-benzotriazol-5-ol (CID 135976854) is 4-phenyl-2H-benzotriazol-5-ol.
What is the SMILES notation for 4-phenyl-2H-benzotriazol-5-ol?
The canonical SMILES for 4-phenyl-2H-benzotriazol-5-ol is Oc1ccc2n[nH]nc2c1-c1ccccc1.
What is the InChIKey of 4-phenyl-2H-benzotriazol-5-ol?
The InChIKey is ZCILGMFPJBRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-10-7-6-9-12(14-15-13-9)11(10)8-4-2-1-3-5-8/h1-7,16H,(H,13,14,15).
What are the key properties of 4-phenyl-2H-benzotriazol-5-ol?
4-phenyl-2H-benzotriazol-5-ol has a molecular weight of 211.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2H-benzotriazol-5-ol is sourced from PubChem (CID 135976854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).