2-(benzotriazol-2-yl)benzene-1,3-diol

C12H9N3O2 — CID 12691728

IUPAC2-(benzotriazol-2-yl)benzene-1,3-diol
SMILESOc1cccc(O)c1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O2/c16-10-6-3-7-11(17)12(10)15-13-8-4-1-2-5-9(8)14-15/h1-7,16-17H
InChIKeyXTSNQQIQQOYSKB-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.83
Rot. Bonds1

About 2-(benzotriazol-2-yl)benzene-1,3-diol

2-(benzotriazol-2-yl)benzene-1,3-diol (PubChem CID 12691728) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)benzene-1,3-diol
PubChem CID12691728
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(benzotriazol-2-yl)benzene-1,3-diol
SMILESOc1cccc(O)c1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O2/c16-10-6-3-7-11(17)12(10)15-13-8-4-1-2-5-9(8)14-15/h1-7,16-17H
InChIKeyXTSNQQIQQOYSKB-UHFFFAOYSA-N
XLogP1.83
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-Hydroxy-4-octyloxyphenyl)-2H-benzotriazole
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2-(Benzotriazol-1-yl)phenol
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2-(4-hydroxyphenyl)-2h-benzotriazole N-oxide
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2-(2H-Benzotriazol-2-yl)-5-methylphenol
CID 614392
2-(2H-Benzotriazole-2-yl)phenol
CID 10198220
2-(2,4-dihydroxyphenyl)-2H-benzotriazole
CID 11064167
4-Amino-2-(5-amino(2-hydrobenzotriazol-2-yl))phenol
CID 4251880
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CID 13000701
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)benzene-1,3-diol?
The IUPAC name of 2-(benzotriazol-2-yl)benzene-1,3-diol (CID 12691728) is 2-(benzotriazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(benzotriazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-(benzotriazol-2-yl)benzene-1,3-diol is Oc1cccc(O)c1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)benzene-1,3-diol?
The InChIKey is XTSNQQIQQOYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-10-6-3-7-11(17)12(10)15-13-8-4-1-2-5-9(8)14-15/h1-7,16-17H.
What are the key properties of 2-(benzotriazol-2-yl)benzene-1,3-diol?
2-(benzotriazol-2-yl)benzene-1,3-diol has a molecular weight of 227.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 12691728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).