2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite

C12H12INO4 — CID 143275850

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
SMILESO=C1c2ccccc2C(=O)N1CCOCCOI
InChIInChI=1S/C12H12INO4/c13-18-8-7-17-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChIKeyPAZYRYKEKFCZEJ-UHFFFAOYSA-N
MW361.14 g/mol
LogP1.67
Rot. Bonds6

About 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite

2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite (PubChem CID 143275850) has the molecular formula C12H12INO4 and a molecular weight of 361.14 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
PubChem CID143275850
Molecular FormulaC12H12INO4
Molecular Weight361.14 g/mol
Exact Mass360.98
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
SMILESO=C1c2ccccc2C(=O)N1CCOCCOI
InChIInChI=1S/C12H12INO4/c13-18-8-7-17-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChIKeyPAZYRYKEKFCZEJ-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-dioxoisoindol-2-yl)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

Related Compounds

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 118588562
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite (CID 143275850) is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite is O=C1c2ccccc2C(=O)N1CCOCCOI.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite?
The InChIKey is PAZYRYKEKFCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO4/c13-18-8-7-17-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite?
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite has a molecular weight of 361.14 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite is sourced from PubChem (CID 143275850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).