2-(4-methoxyphenyl)benzotriazol-5-ol

C13H11N3O2 — CID 135452697

IUPAC2-(4-methoxyphenyl)benzotriazol-5-ol
SMILESCOc1ccc(-n2nc3ccc(O)cc3n2)cc1
InChIInChI=1S/C13H11N3O2/c1-18-11-5-2-9(3-6-11)16-14-12-7-4-10(17)8-13(12)15-16/h2-8,17H,1H3
InChIKeyUBUCRIWEAHTRME-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-methoxyphenyl)benzotriazol-5-ol

2-(4-methoxyphenyl)benzotriazol-5-ol (PubChem CID 135452697) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)benzotriazol-5-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)benzotriazol-5-ol
PubChem CID135452697
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(4-methoxyphenyl)benzotriazol-5-ol
SMILESCOc1ccc(-n2nc3ccc(O)cc3n2)cc1
InChIInChI=1S/C13H11N3O2/c1-18-11-5-2-9(3-6-11)16-14-12-7-4-10(17)8-13(12)15-16/h2-8,17H,1H3
InChIKeyUBUCRIWEAHTRME-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)benzotriazol-5-ol?
The IUPAC name of 2-(4-methoxyphenyl)benzotriazol-5-ol (CID 135452697) is 2-(4-methoxyphenyl)benzotriazol-5-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)benzotriazol-5-ol?
The canonical SMILES for 2-(4-methoxyphenyl)benzotriazol-5-ol is COc1ccc(-n2nc3ccc(O)cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)benzotriazol-5-ol?
The InChIKey is UBUCRIWEAHTRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-11-5-2-9(3-6-11)16-14-12-7-4-10(17)8-13(12)15-16/h2-8,17H,1H3.
What are the key properties of 2-(4-methoxyphenyl)benzotriazol-5-ol?
2-(4-methoxyphenyl)benzotriazol-5-ol has a molecular weight of 241.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)benzotriazol-5-ol is sourced from PubChem (CID 135452697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).