1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane

C5H11Br2O2P — CID 23268533

IUPAC1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
SMILESCOP(C)(=O)C(C)(Br)CBr
InChIInChI=1S/C5H11Br2O2P/c1-5(7,4-6)10(3,8)9-2/h4H2,1-3H3
InChIKeyCXHFBJLSBCEIJZ-UHFFFAOYSA-N
MW293.92 g/mol
LogP3.05
Rot. Bonds3

About 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane

1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane (PubChem CID 23268533) has the molecular formula C5H11Br2O2P and a molecular weight of 293.92 g/mol. Its IUPAC name is 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane.

Molecular Properties

Compound Name1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
PubChem CID23268533
Molecular FormulaC5H11Br2O2P
Molecular Weight293.92 g/mol
Exact Mass291.89
IUPAC Name1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
SMILESCOP(C)(=O)C(C)(Br)CBr
InChIInChI=1S/C5H11Br2O2P/c1-5(7,4-6)10(3,8)9-2/h4H2,1-3H3
InChIKeyCXHFBJLSBCEIJZ-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[methoxy(methyl)phosphoryl]methane
CID 12886123
dibromo-bis(dimethoxyphosphoryl)methane
CID 14508674
1,1,3-tribromo-1-[chloro-(1,1,3-tribromo-2,2-dimethylpropoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 19956645
1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
CID 158802625
2-[2-methoxyethoxy(methyl)phosphoryl]-2-methylpropane
CID 88590797
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
2-[[tert-butyl(methyl)phosphoryl]oxy-methylphosphoryl]-2-methylpropane
CID 170389690
1,1,3-tribromo-1-[chloromethyl-(1,1,3-tribromo-2,2-dimethylpropoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 54044411
N-bis(1,1,3-tribromo-2,2-dimethylpropoxy)phosphoryl-N-methylmethanamine
CID 54101610
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
CID 59576311
CID 57459832
CID 57459832

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane?
The IUPAC name of 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane (CID 23268533) is 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane.
What is the SMILES notation for 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane?
The canonical SMILES for 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane is COP(C)(=O)C(C)(Br)CBr.
What is the InChIKey of 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane?
The InChIKey is CXHFBJLSBCEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br2O2P/c1-5(7,4-6)10(3,8)9-2/h4H2,1-3H3.
What are the key properties of 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane?
1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane has a molecular weight of 293.92 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane is sourced from PubChem (CID 23268533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).