2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium

C2H5ClO3P+ — CID 57229435

IUPAC2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(Cl)OCCO1
InChIInChI=1S/C2H5ClO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1
InChIKeyOGZHZFFJAKZYKM-UHFFFAOYSA-N
MW143.49 g/mol
LogP0.94
Rot. Bonds

About 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium

2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium (PubChem CID 57229435) has the molecular formula C2H5ClO3P+ and a molecular weight of 143.49 g/mol. Its IUPAC name is 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
PubChem CID57229435
Molecular FormulaC2H5ClO3P+
Molecular Weight143.49 g/mol
Exact Mass142.97
IUPAC Name2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(Cl)OCCO1
InChIInChI=1S/C2H5ClO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1
InChIKeyOGZHZFFJAKZYKM-UHFFFAOYSA-N
XLogP0.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.49
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium (CID 57229435) is 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium is O[P+]1(Cl)OCCO1.
What is the InChIKey of 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The InChIKey is OGZHZFFJAKZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1.
What are the key properties of 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium has a molecular weight of 143.49 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-hydroxy-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 57229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).