1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane

C4H10BrO3P — CID 57071163

IUPAC1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane
SMILESCOP(C)(=O)OCCBr
InChIInChI=1S/C4H10BrO3P/c1-7-9(2,6)8-4-3-5/h3-4H2,1-2H3
InChIKeyGOJXLICKTRZIJL-UHFFFAOYSA-N
MW217.00 g/mol
LogP1.87
Rot. Bonds4

About 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane

1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane (PubChem CID 57071163) has the molecular formula C4H10BrO3P and a molecular weight of 217.00 g/mol. Its IUPAC name is 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane
PubChem CID57071163
Molecular FormulaC4H10BrO3P
Molecular Weight217.00 g/mol
Exact Mass215.96
IUPAC Name1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane
SMILESCOP(C)(=O)OCCBr
InChIInChI=1S/C4H10BrO3P/c1-7-9(2,6)8-4-3-5/h3-4H2,1-2H3
InChIKeyGOJXLICKTRZIJL-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane (CID 57071163) is 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane is COP(C)(=O)OCCBr.
What is the InChIKey of 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane?
The InChIKey is GOJXLICKTRZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrO3P/c1-7-9(2,6)8-4-3-5/h3-4H2,1-2H3.
What are the key properties of 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane?
1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane has a molecular weight of 217.00 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[methoxy(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 57071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).