2-phenyl-1,3,2-dioxaphosphinane

C9H11O2P — CID 11137748

IUPAC2-phenyl-1,3,2-dioxaphosphinane
SMILESc1ccc(P2OCCCO2)cc1
InChIInChI=1S/C9H11O2P/c1-2-5-9(6-3-1)12-10-7-4-8-11-12/h1-3,5-6H,4,7-8H2
InChIKeyRPGJXPCHLNAQIC-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.06
Rot. Bonds1

About 2-phenyl-1,3,2-dioxaphosphinane

2-phenyl-1,3,2-dioxaphosphinane (PubChem CID 11137748) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-phenyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-phenyl-1,3,2-dioxaphosphinane
PubChem CID11137748
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Name2-phenyl-1,3,2-dioxaphosphinane
SMILESc1ccc(P2OCCCO2)cc1
InChIInChI=1S/C9H11O2P/c1-2-5-9(6-3-1)12-10-7-4-8-11-12/h1-3,5-6H,4,7-8H2
InChIKeyRPGJXPCHLNAQIC-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-phenyl-1,3,2-dioxaphosphinane (CID 11137748) is 2-phenyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-phenyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-phenyl-1,3,2-dioxaphosphinane is c1ccc(P2OCCCO2)cc1.
What is the InChIKey of 2-phenyl-1,3,2-dioxaphosphinane?
The InChIKey is RPGJXPCHLNAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c1-2-5-9(6-3-1)12-10-7-4-8-11-12/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenyl-1,3,2-dioxaphosphinane?
2-phenyl-1,3,2-dioxaphosphinane has a molecular weight of 182.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 11137748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).