[oxiran-2-yl(phenyl)methyl] hypobromite

C9H9BrO2 — CID 174319949

IUPAC[oxiran-2-yl(phenyl)methyl] hypobromite
SMILESBrOC(c1ccccc1)C1CO1
InChIInChI=1S/C9H9BrO2/c10-12-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyYUDFFGYFSQBRMI-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.45
Rot. Bonds3

About [oxiran-2-yl(phenyl)methyl] hypobromite

[oxiran-2-yl(phenyl)methyl] hypobromite (PubChem CID 174319949) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is [oxiran-2-yl(phenyl)methyl] hypobromite.

Molecular Properties

Compound Name[oxiran-2-yl(phenyl)methyl] hypobromite
PubChem CID174319949
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name[oxiran-2-yl(phenyl)methyl] hypobromite
SMILESBrOC(c1ccccc1)C1CO1
InChIInChI=1S/C9H9BrO2/c10-12-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyYUDFFGYFSQBRMI-UHFFFAOYSA-N
XLogP2.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [oxiran-2-yl(phenyl)methyl] hypobromite?
The IUPAC name of [oxiran-2-yl(phenyl)methyl] hypobromite (CID 174319949) is [oxiran-2-yl(phenyl)methyl] hypobromite.
What is the SMILES notation for [oxiran-2-yl(phenyl)methyl] hypobromite?
The canonical SMILES for [oxiran-2-yl(phenyl)methyl] hypobromite is BrOC(c1ccccc1)C1CO1.
What is the InChIKey of [oxiran-2-yl(phenyl)methyl] hypobromite?
The InChIKey is YUDFFGYFSQBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-12-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of [oxiran-2-yl(phenyl)methyl] hypobromite?
[oxiran-2-yl(phenyl)methyl] hypobromite has a molecular weight of 229.07 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [oxiran-2-yl(phenyl)methyl] hypobromite is sourced from PubChem (CID 174319949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).