2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol

C5H11Cl2O4P — CID 54567304

IUPAC2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COP(Cl)Cl
InChIInChI=1S/C5H11Cl2O4P/c6-12(7)11-4-5(1-8,2-9)3-10/h8-10H,1-4H2
InChIKeyZUTALPWLMYPAHE-UHFFFAOYSA-N
MW237.02 g/mol
LogP0.67
Rot. Bonds6

About 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 54567304) has the molecular formula C5H11Cl2O4P and a molecular weight of 237.02 g/mol. Its IUPAC name is 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID54567304
Molecular FormulaC5H11Cl2O4P
Molecular Weight237.02 g/mol
Exact Mass235.98
IUPAC Name2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COP(Cl)Cl
InChIInChI=1S/C5H11Cl2O4P/c6-12(7)11-4-5(1-8,2-9)3-10/h8-10H,1-4H2
InChIKeyZUTALPWLMYPAHE-UHFFFAOYSA-N
XLogP0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
CID 88505588
2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite
CID 158379959
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88559974
2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;3-oxobutanoic acid
CID 88820823
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
1-deuterio-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175690399
2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 22253212
hexane-1,6-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87123368
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175404874
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954

Frequently Asked Questions

What is the IUPAC name of 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 54567304) is 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)COP(Cl)Cl.
What is the InChIKey of 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZUTALPWLMYPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O4P/c6-12(7)11-4-5(1-8,2-9)3-10/h8-10H,1-4H2.
What are the key properties of 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 237.02 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 54567304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).