2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide

C9H11ClNO3P — CID 15259233

IUPAC2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide
SMILESO=P1(Oc2ccc(Cl)cc2)NCCCO1
InChIInChI=1S/C9H11ClNO3P/c10-8-2-4-9(5-3-8)14-15(12)11-6-1-7-13-15/h2-5H,1,6-7H2,(H,11,12)
InChIKeyVXZGZPOLAIRREP-UHFFFAOYSA-N
MW247.62 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide

2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide (PubChem CID 15259233) has the molecular formula C9H11ClNO3P and a molecular weight of 247.62 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide
PubChem CID15259233
Molecular FormulaC9H11ClNO3P
Molecular Weight247.62 g/mol
Exact Mass247.02
IUPAC Name2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide
SMILESO=P1(Oc2ccc(Cl)cc2)NCCCO1
InChIInChI=1S/C9H11ClNO3P/c10-8-2-4-9(5-3-8)14-15(12)11-6-1-7-13-15/h2-5H,1,6-7H2,(H,11,12)
InChIKeyVXZGZPOLAIRREP-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.62
LogP ≤ 52.84
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-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide?
The IUPAC name of 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide (CID 15259233) is 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide?
The canonical SMILES for 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide is O=P1(Oc2ccc(Cl)cc2)NCCCO1.
What is the InChIKey of 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide?
The InChIKey is VXZGZPOLAIRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClNO3P/c10-8-2-4-9(5-3-8)14-15(12)11-6-1-7-13-15/h2-5H,1,6-7H2,(H,11,12).
What are the key properties of 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide?
2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide has a molecular weight of 247.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 15259233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).