chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid

C5H11ClNO5P — CID 88527668

IUPACchloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid
SMILESCOC1CN(OP(=O)(O)Cl)CCO1
InChIInChI=1S/C5H11ClNO5P/c1-10-5-4-7(2-3-11-5)12-13(6,8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMYJPKGUJMIJUSR-UHFFFAOYSA-N
MW231.57 g/mol
LogP0.56
Rot. Bonds3

About chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid

chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid (PubChem CID 88527668) has the molecular formula C5H11ClNO5P and a molecular weight of 231.57 g/mol. Its IUPAC name is chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid.

Molecular Properties

Compound Namechloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid
PubChem CID88527668
Molecular FormulaC5H11ClNO5P
Molecular Weight231.57 g/mol
Exact Mass231.01
IUPAC Namechloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid
SMILESCOC1CN(OP(=O)(O)Cl)CCO1
InChIInChI=1S/C5H11ClNO5P/c1-10-5-4-7(2-3-11-5)12-13(6,8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMYJPKGUJMIJUSR-UHFFFAOYSA-N
XLogP0.56
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.57
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid?
The IUPAC name of chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid (CID 88527668) is chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid.
What is the SMILES notation for chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid?
The canonical SMILES for chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid is COC1CN(OP(=O)(O)Cl)CCO1.
What is the InChIKey of chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid?
The InChIKey is MYJPKGUJMIJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClNO5P/c1-10-5-4-7(2-3-11-5)12-13(6,8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid?
chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid has a molecular weight of 231.57 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-methoxymorpholin-4-yl)oxyphosphinic acid is sourced from PubChem (CID 88527668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).