2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite

C14H20INO4 — CID 163276537

IUPAC2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
SMILESIOCCOCCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C14H20INO4/c15-20-11-9-18-8-10-19-14-3-1-2-13(12-14)16-4-6-17-7-5-16/h1-3,12H,4-11H2
InChIKeyXTVCLABHLOBDHU-UHFFFAOYSA-N
MW393.22 g/mol
LogP2.29
Rot. Bonds8

About 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite

2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite (PubChem CID 163276537) has the molecular formula C14H20INO4 and a molecular weight of 393.22 g/mol. Its IUPAC name is 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite.

Molecular Properties

Compound Name2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
PubChem CID163276537
Molecular FormulaC14H20INO4
Molecular Weight393.22 g/mol
Exact Mass393.04
IUPAC Name2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
SMILESIOCCOCCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C14H20INO4/c15-20-11-9-18-8-10-19-14-3-1-2-13(12-14)16-4-6-17-7-5-16/h1-3,12H,4-11H2
InChIKeyXTVCLABHLOBDHU-UHFFFAOYSA-N
XLogP2.29
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite 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-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite?
The IUPAC name of 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite (CID 163276537) is 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite.
What is the SMILES notation for 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite?
The canonical SMILES for 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite is IOCCOCCOc1cccc(N2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite?
The InChIKey is XTVCLABHLOBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO4/c15-20-11-9-18-8-10-19-14-3-1-2-13(12-14)16-4-6-17-7-5-16/h1-3,12H,4-11H2.
What are the key properties of 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite?
2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite has a molecular weight of 393.22 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite is sourced from PubChem (CID 163276537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).