1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite

C11H12BrIO2 — CID 139384145

IUPAC1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite
SMILESC=Cc1cccc(OCC(C)OI)c1Br
InChIInChI=1S/C11H12BrIO2/c1-3-9-5-4-6-10(11(9)12)14-7-8(2)15-13/h3-6,8H,1,7H2,2H3
InChIKeyUQGUFHZDZPOXGY-UHFFFAOYSA-N
MW383.02 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite

1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite (PubChem CID 139384145) has the molecular formula C11H12BrIO2 and a molecular weight of 383.02 g/mol. Its IUPAC name is 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite.

Molecular Properties

Compound Name1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite
PubChem CID139384145
Molecular FormulaC11H12BrIO2
Molecular Weight383.02 g/mol
Exact Mass381.91
IUPAC Name1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite
SMILESC=Cc1cccc(OCC(C)OI)c1Br
InChIInChI=1S/C11H12BrIO2/c1-3-9-5-4-6-10(11(9)12)14-7-8(2)15-13/h3-6,8H,1,7H2,2H3
InChIKeyUQGUFHZDZPOXGY-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.02
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite?
The IUPAC name of 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite (CID 139384145) is 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite.
What is the SMILES notation for 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite?
The canonical SMILES for 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite is C=Cc1cccc(OCC(C)OI)c1Br.
What is the InChIKey of 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite?
The InChIKey is UQGUFHZDZPOXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrIO2/c1-3-9-5-4-6-10(11(9)12)14-7-8(2)15-13/h3-6,8H,1,7H2,2H3.
What are the key properties of 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite?
1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite has a molecular weight of 383.02 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite is sourced from PubChem (CID 139384145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).