2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol

C14H12ClN3O3 — CID 54109708

IUPAC2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol
SMILESOCCOc1cc(O)c(-n2nc3ccccc3n2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c15-9-7-12(13(20)8-14(9)21-6-5-19)18-16-10-3-1-2-4-11(10)17-18/h1-4,7-8,19-20H,5-6H2
InChIKeyNGFQGMBQHJOMFS-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.15
Rot. Bonds4

About 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol

2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol (PubChem CID 54109708) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol
PubChem CID54109708
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol
SMILESOCCOc1cc(O)c(-n2nc3ccccc3n2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c15-9-7-12(13(20)8-14(9)21-6-5-19)18-16-10-3-1-2-4-11(10)17-18/h1-4,7-8,19-20H,5-6H2
InChIKeyNGFQGMBQHJOMFS-UHFFFAOYSA-N
XLogP2.15
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol (CID 54109708) is 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol is OCCOc1cc(O)c(-n2nc3ccccc3n2)cc1Cl.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol?
The InChIKey is NGFQGMBQHJOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-9-7-12(13(20)8-14(9)21-6-5-19)18-16-10-3-1-2-4-11(10)17-18/h1-4,7-8,19-20H,5-6H2.
What are the key properties of 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol?
2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol has a molecular weight of 305.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol is sourced from PubChem (CID 54109708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).