2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite

C11H12ClIO2 — CID 89000806

IUPAC2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite
SMILESC=CCOc1ccc(CCOI)cc1Cl
InChIInChI=1S/C11H12ClIO2/c1-2-6-14-11-4-3-9(5-7-15-13)8-10(11)12/h2-4,8H,1,5-7H2
InChIKeyQEASYNUCIDPMIO-UHFFFAOYSA-N
MW338.57 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite

2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite (PubChem CID 89000806) has the molecular formula C11H12ClIO2 and a molecular weight of 338.57 g/mol. Its IUPAC name is 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite.

Molecular Properties

Compound Name2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite
PubChem CID89000806
Molecular FormulaC11H12ClIO2
Molecular Weight338.57 g/mol
Exact Mass337.96
IUPAC Name2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite
SMILESC=CCOc1ccc(CCOI)cc1Cl
InChIInChI=1S/C11H12ClIO2/c1-2-6-14-11-4-3-9(5-7-15-13)8-10(11)12/h2-4,8H,1,5-7H2
InChIKeyQEASYNUCIDPMIO-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite?
The IUPAC name of 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite (CID 89000806) is 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite.
What is the SMILES notation for 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite?
The canonical SMILES for 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite is C=CCOc1ccc(CCOI)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite?
The InChIKey is QEASYNUCIDPMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIO2/c1-2-6-14-11-4-3-9(5-7-15-13)8-10(11)12/h2-4,8H,1,5-7H2.
What are the key properties of 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite?
2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite has a molecular weight of 338.57 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite is sourced from PubChem (CID 89000806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).