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

C12H9N3O2 — CID 11064167

IUPAC4-(benzotriazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C12H9N3O2/c16-8-5-6-11(12(17)7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H
InChIKeyLEBRCVXHIFZXEM-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.83
Rot. Bonds1

About 4-(benzotriazol-2-yl)benzene-1,3-diol

4-(benzotriazol-2-yl)benzene-1,3-diol (PubChem CID 11064167) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)benzene-1,3-diol
PubChem CID11064167
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name4-(benzotriazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C12H9N3O2/c16-8-5-6-11(12(17)7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H
InChIKeyLEBRCVXHIFZXEM-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

Drometrizole
CID 17113
4-(Benzotriazol-2-yl)phenol
CID 1237088
2-(2H-Benzotriazol-2-yl)-1,4-benzenediol
CID 100816
2-(2-Hydroxy-4-octyloxyphenyl)-2H-benzotriazole
CID 15752107
2-(4-hydroxyphenyl)-2h-benzotriazole N-oxide
CID 14360836
2-(2H-Benzotriazole-2-yl)phenol
CID 10198220
4-Amino-2-(5-amino(2-hydrobenzotriazol-2-yl))phenol
CID 4251880
2-(Benzotriazol-2-yl)benzene-1,3-diol
CID 12691728
2-(2'-Hydroxyphenyl)-5-aminobenzotriazole
CID 13000701
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-(2-Hydroxy-4-methacryloyloxyphenyl)-2h-benzotriazole
CID 15672475
2(2-Hydroxy-4-acryloxyphenyl)2h-benzotriazole
CID 21678457

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(benzotriazol-2-yl)benzene-1,3-diol (CID 11064167) is 4-(benzotriazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(benzotriazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(benzotriazol-2-yl)benzene-1,3-diol is Oc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 4-(benzotriazol-2-yl)benzene-1,3-diol?
The InChIKey is LEBRCVXHIFZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-8-5-6-11(12(17)7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H.
What are the key properties of 4-(benzotriazol-2-yl)benzene-1,3-diol?
4-(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 4-(benzotriazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 11064167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).