2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol

C10H14ClNO4 — CID 87758684

IUPAC2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol
SMILESOCCON(OCCO)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO4/c11-9-3-1-2-4-10(9)12(15-7-5-13)16-8-6-14/h1-4,13-14H,5-8H2
InChIKeyZBHPJHDEDCBQPG-UHFFFAOYSA-N
MW247.68 g/mol
LogP0.99
Rot. Bonds7

About 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol

2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol (PubChem CID 87758684) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol.

Molecular Properties

Compound Name2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol
PubChem CID87758684
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol
SMILESOCCON(OCCO)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO4/c11-9-3-1-2-4-10(9)12(15-7-5-13)16-8-6-14/h1-4,13-14H,5-8H2
InChIKeyZBHPJHDEDCBQPG-UHFFFAOYSA-N
XLogP0.99
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol 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-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol?
The IUPAC name of 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol (CID 87758684) is 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol.
What is the SMILES notation for 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol?
The canonical SMILES for 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol is OCCON(OCCO)c1ccccc1Cl.
What is the InChIKey of 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol?
The InChIKey is ZBHPJHDEDCBQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4/c11-9-3-1-2-4-10(9)12(15-7-5-13)16-8-6-14/h1-4,13-14H,5-8H2.
What are the key properties of 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol?
2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol has a molecular weight of 247.68 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol is sourced from PubChem (CID 87758684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).