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

C12H9N3O — CID 135671418

IUPAC5-phenyl-2H-benzotriazol-4-ol
SMILESOc1c(-c2ccccc2)ccc2n[nH]nc12
InChIInChI=1S/C12H9N3O/c16-12-9(8-4-2-1-3-5-8)6-7-10-11(12)14-15-13-10/h1-7,16H,(H,13,14,15)
InChIKeyXTPLRTNRAWNEMN-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.33
Rot. Bonds1

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

5-phenyl-2H-benzotriazol-4-ol (PubChem CID 135671418) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-phenyl-2H-benzotriazol-4-ol.

Molecular Properties

Compound Name5-phenyl-2H-benzotriazol-4-ol
PubChem CID135671418
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-phenyl-2H-benzotriazol-4-ol
SMILESOc1c(-c2ccccc2)ccc2n[nH]nc12
InChIInChI=1S/C12H9N3O/c16-12-9(8-4-2-1-3-5-8)6-7-10-11(12)14-15-13-10/h1-7,16H,(H,13,14,15)
InChIKeyXTPLRTNRAWNEMN-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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Related Compounds

4-phenyl-2H-benzotriazol-5-ol
CID 135976854
6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol
CID 141485761
2-(5-chloro-2H-benzotriazol-4-yl)phenol
CID 135987448
2H-benzotriazole;1,1'-biphenyl
CID 161096180
silver 5-methoxy-2H-benzotriazol-4-ol
CID 135617169
2H-cyclodeca[d]triazole
CID 135280907
4-[3-(aminomethyl)phenyl]-2H-benzotriazol-5-ol
CID 174966168
benzene-1,4-diol;2H-benzotriazole
CID 160549478
4,5-diphenyl-2H-triazole
CID 613500
2H-benzotriazol-4-ol;formic acid
CID 175461289
2H-benzotriazole;3-phenylphthalic acid
CID 175494316
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
CID 137052789

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-benzotriazol-4-ol?
The IUPAC name of 5-phenyl-2H-benzotriazol-4-ol (CID 135671418) is 5-phenyl-2H-benzotriazol-4-ol.
What is the SMILES notation for 5-phenyl-2H-benzotriazol-4-ol?
The canonical SMILES for 5-phenyl-2H-benzotriazol-4-ol is Oc1c(-c2ccccc2)ccc2n[nH]nc12.
What is the InChIKey of 5-phenyl-2H-benzotriazol-4-ol?
The InChIKey is XTPLRTNRAWNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-9(8-4-2-1-3-5-8)6-7-10-11(12)14-15-13-10/h1-7,16H,(H,13,14,15).
What are the key properties of 5-phenyl-2H-benzotriazol-4-ol?
5-phenyl-2H-benzotriazol-4-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 5-phenyl-2H-benzotriazol-4-ol is sourced from PubChem (CID 135671418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).