2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol

C14H13N3O3 — CID 23459163

IUPAC2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
SMILESCC(O)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C14H13N3O3/c1-9(18)20-10-6-7-13(14(19)8-10)17-15-11-4-2-3-5-12(11)16-17/h2-9,18-19H,1H3
InChIKeyWVXMIWDMBMYIHU-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.84
Rot. Bonds3

About 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol

2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol (PubChem CID 23459163) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
PubChem CID23459163
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
SMILESCC(O)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C14H13N3O3/c1-9(18)20-10-6-7-13(14(19)8-10)17-15-11-4-2-3-5-12(11)16-17/h2-9,18-19H,1H3
InChIKeyWVXMIWDMBMYIHU-UHFFFAOYSA-N
XLogP1.84
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol (CID 23459163) is 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol is CC(O)Oc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol?
The InChIKey is WVXMIWDMBMYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(18)20-10-6-7-13(14(19)8-10)17-15-11-4-2-3-5-12(11)16-17/h2-9,18-19H,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol?
2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol has a molecular weight of 271.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol is sourced from PubChem (CID 23459163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).