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

C3H7ClO3P+ — CID 145234011

IUPAC2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium
SMILESO[P+]1(Cl)OCCCO1
InChIInChI=1S/C3H7ClO3P/c4-8(5)6-2-1-3-7-8/h5H,1-3H2/q+1
InChIKeyGBLQTDBWUINNMM-UHFFFAOYSA-N
MW157.51 g/mol
LogP1.33
Rot. Bonds

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

2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium (PubChem CID 145234011) has the molecular formula C3H7ClO3P+ and a molecular weight of 157.51 g/mol. Its IUPAC name is 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium.

Molecular Properties

Compound Name2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium
PubChem CID145234011
Molecular FormulaC3H7ClO3P+
Molecular Weight157.51 g/mol
Exact Mass156.98
IUPAC Name2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium
SMILESO[P+]1(Cl)OCCCO1
InChIInChI=1S/C3H7ClO3P/c4-8(5)6-2-1-3-7-8/h5H,1-3H2/q+1
InChIKeyGBLQTDBWUINNMM-UHFFFAOYSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.51
LogP ≤ 51.33
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-dioxaphosphinan-2-ium?
The IUPAC name of 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium (CID 145234011) is 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium.
What is the SMILES notation for 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium?
The canonical SMILES for 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium is O[P+]1(Cl)OCCCO1.
What is the InChIKey of 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium?
The InChIKey is GBLQTDBWUINNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO3P/c4-8(5)6-2-1-3-7-8/h5H,1-3H2/q+1.
What are the key properties of 2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium?
2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium has a molecular weight of 157.51 g/mol, XLogP of 1.33, 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-dioxaphosphinan-2-ium is sourced from PubChem (CID 145234011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).