2-(benzotriazol-2-yl)-5-ethoxyphenol

C14H13N3O2 — CID 54306055

IUPAC2-(benzotriazol-2-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C14H13N3O2/c1-2-19-10-7-8-13(14(18)9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9,18H,2H2,1H3
InChIKeyYBIGQANAFDQTNA-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.52
Rot. Bonds3

About 2-(benzotriazol-2-yl)-5-ethoxyphenol

2-(benzotriazol-2-yl)-5-ethoxyphenol (PubChem CID 54306055) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-ethoxyphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-ethoxyphenol
PubChem CID54306055
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(benzotriazol-2-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C14H13N3O2/c1-2-19-10-7-8-13(14(18)9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9,18H,2H2,1H3
InChIKeyYBIGQANAFDQTNA-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.52
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)-5-ethoxyphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-ethoxyphenol (CID 54306055) is 2-(benzotriazol-2-yl)-5-ethoxyphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-ethoxyphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-ethoxyphenol is CCOc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-ethoxyphenol?
The InChIKey is YBIGQANAFDQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-19-10-7-8-13(14(18)9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9,18H,2H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-ethoxyphenol?
2-(benzotriazol-2-yl)-5-ethoxyphenol has a molecular weight of 255.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-ethoxyphenol is sourced from PubChem (CID 54306055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).