[chloromethyl(hydroxymethyl)phosphoryl]methanol

C3H8ClO3P — CID 12572762

IUPAC[chloromethyl(hydroxymethyl)phosphoryl]methanol
SMILESO=P(CO)(CO)CCl
InChIInChI=1S/C3H8ClO3P/c4-1-8(7,2-5)3-6/h5-6H,1-3H2
InChIKeyQFKKCZQXWVEYDR-UHFFFAOYSA-N
MW158.52 g/mol
LogP0.45
Rot. Bonds3

About [chloromethyl(hydroxymethyl)phosphoryl]methanol

[chloromethyl(hydroxymethyl)phosphoryl]methanol (PubChem CID 12572762) has the molecular formula C3H8ClO3P and a molecular weight of 158.52 g/mol. Its IUPAC name is [chloromethyl(hydroxymethyl)phosphoryl]methanol.

Molecular Properties

Compound Name[chloromethyl(hydroxymethyl)phosphoryl]methanol
PubChem CID12572762
Molecular FormulaC3H8ClO3P
Molecular Weight158.52 g/mol
Exact Mass157.99
IUPAC Name[chloromethyl(hydroxymethyl)phosphoryl]methanol
SMILESO=P(CO)(CO)CCl
InChIInChI=1S/C3H8ClO3P/c4-1-8(7,2-5)3-6/h5-6H,1-3H2
InChIKeyQFKKCZQXWVEYDR-UHFFFAOYSA-N
XLogP0.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.52
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichlorophosphorylmethanol
CID 130324841
dipropylphosphorylmethanol
CID 18981637
dibutylphosphorylmethanol
CID 5219006
dichloromethane;methane;phosphoric acid
CID 174721529
azane;hydroxymethylphosphonic acid
CID 175028252
calcium phosphonatomethanol
CID 154632355
bis(hydroxymethyl)phosphinic acid;zinc
CID 88775529
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
2-chloroethyl-N-methylphosphonamidic acid;hydrochloride
CID 88819662
azane;ethane-1,2-diol;phosphoric acid
CID 174794036

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(hydroxymethyl)phosphoryl]methanol?
The IUPAC name of [chloromethyl(hydroxymethyl)phosphoryl]methanol (CID 12572762) is [chloromethyl(hydroxymethyl)phosphoryl]methanol.
What is the SMILES notation for [chloromethyl(hydroxymethyl)phosphoryl]methanol?
The canonical SMILES for [chloromethyl(hydroxymethyl)phosphoryl]methanol is O=P(CO)(CO)CCl.
What is the InChIKey of [chloromethyl(hydroxymethyl)phosphoryl]methanol?
The InChIKey is QFKKCZQXWVEYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO3P/c4-1-8(7,2-5)3-6/h5-6H,1-3H2.
What are the key properties of [chloromethyl(hydroxymethyl)phosphoryl]methanol?
[chloromethyl(hydroxymethyl)phosphoryl]methanol has a molecular weight of 158.52 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(hydroxymethyl)phosphoryl]methanol is sourced from PubChem (CID 12572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).