5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide

C9H10O4P+ — CID 19816819

IUPAC5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESO=[P+]1OCC(Oc2ccccc2)CO1
InChIInChI=1S/C9H10O4P/c10-14-11-6-9(7-12-14)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/q+1
InChIKeyQQUTZGGBARSVNJ-UHFFFAOYSA-N
MW213.15 g/mol
LogP2.14
Rot. Bonds2

About 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide

5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide (PubChem CID 19816819) has the molecular formula C9H10O4P+ and a molecular weight of 213.15 g/mol. Its IUPAC name is 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide.

Molecular Properties

Compound Name5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
PubChem CID19816819
Molecular FormulaC9H10O4P+
Molecular Weight213.15 g/mol
Exact Mass213.03
IUPAC Name5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
SMILESO=[P+]1OCC(Oc2ccccc2)CO1
InChIInChI=1S/C9H10O4P/c10-14-11-6-9(7-12-14)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/q+1
InChIKeyQQUTZGGBARSVNJ-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The IUPAC name of 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide (CID 19816819) is 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide.
What is the SMILES notation for 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The canonical SMILES for 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide is O=[P+]1OCC(Oc2ccccc2)CO1.
What is the InChIKey of 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
The InChIKey is QQUTZGGBARSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4P/c10-14-11-6-9(7-12-14)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2/q+1.
What are the key properties of 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide?
5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide has a molecular weight of 213.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide is sourced from PubChem (CID 19816819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).