2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol

C14H13N3O2 — CID 688251

IUPAC2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
SMILESOCCc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2
InChIKeyCHKKZILXOJVMAD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.66
Rot. Bonds3

About 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol

2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol (PubChem CID 688251) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
PubChem CID688251
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
SMILESOCCc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2
InChIKeyCHKKZILXOJVMAD-UHFFFAOYSA-N
XLogP1.66
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol (CID 688251) is 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol is OCCc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol?
The InChIKey is CHKKZILXOJVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2.
What are the key properties of 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol?
2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol has a molecular weight of 255.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol is sourced from PubChem (CID 688251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).