2-(2-iodoethenoxy)ethanol

C4H7IO2 — CID 175246550

IUPAC2-(2-iodoethenoxy)ethanol
SMILESOCCOC=CI
InChIInChI=1S/C4H7IO2/c5-1-3-7-4-2-6/h1,3,6H,2,4H2
InChIKeyDMNLDDANTARMBE-UHFFFAOYSA-N
MW214.00 g/mol
LogP0.90
Rot. Bonds3

About 2-(2-iodoethenoxy)ethanol

2-(2-iodoethenoxy)ethanol (PubChem CID 175246550) has the molecular formula C4H7IO2 and a molecular weight of 214.00 g/mol. Its IUPAC name is 2-(2-iodoethenoxy)ethanol.

Molecular Properties

Compound Name2-(2-iodoethenoxy)ethanol
PubChem CID175246550
Molecular FormulaC4H7IO2
Molecular Weight214.00 g/mol
Exact Mass213.95
IUPAC Name2-(2-iodoethenoxy)ethanol
SMILESOCCOC=CI
InChIInChI=1S/C4H7IO2/c5-1-3-7-4-2-6/h1,3,6H,2,4H2
InChIKeyDMNLDDANTARMBE-UHFFFAOYSA-N
XLogP0.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethenoxy)ethanol?
The IUPAC name of 2-(2-iodoethenoxy)ethanol (CID 175246550) is 2-(2-iodoethenoxy)ethanol.
What is the SMILES notation for 2-(2-iodoethenoxy)ethanol?
The canonical SMILES for 2-(2-iodoethenoxy)ethanol is OCCOC=CI.
What is the InChIKey of 2-(2-iodoethenoxy)ethanol?
The InChIKey is DMNLDDANTARMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO2/c5-1-3-7-4-2-6/h1,3,6H,2,4H2.
What are the key properties of 2-(2-iodoethenoxy)ethanol?
2-(2-iodoethenoxy)ethanol has a molecular weight of 214.00 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethenoxy)ethanol is sourced from PubChem (CID 175246550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).