2-(benzotriazol-2-yl)-4-methoxyphenol

C13H11N3O2 — CID 11160823

IUPAC2-(benzotriazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O2/c1-18-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyPITPRNOGWXAZAW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.13
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-methoxyphenol

2-(benzotriazol-2-yl)-4-methoxyphenol (PubChem CID 11160823) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methoxyphenol
PubChem CID11160823
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(benzotriazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O2/c1-18-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKeyPITPRNOGWXAZAW-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-(benzotriazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methoxyphenol (CID 11160823) is 2-(benzotriazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methoxyphenol?
The InChIKey is PITPRNOGWXAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methoxyphenol?
2-(benzotriazol-2-yl)-4-methoxyphenol 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-(benzotriazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 11160823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).