2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione

C14H16NO6P — CID 142743075

IUPAC2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCCOP(=O)(O)O1
InChIInChI=1S/C14H16NO6P/c16-13-10-6-3-4-7-11(10)14(17)15(13)12-8-2-1-5-9-20-22(18,19)21-12/h3-4,6-7,12H,1-2,5,8-9H2,(H,18,19)
InChIKeyDYDRJVTWAYRJKK-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.32
Rot. Bonds1

About 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione

2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione (PubChem CID 142743075) has the molecular formula C14H16NO6P and a molecular weight of 325.26 g/mol. Its IUPAC name is 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione
PubChem CID142743075
Molecular FormulaC14H16NO6P
Molecular Weight325.26 g/mol
Exact Mass325.07
IUPAC Name2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCCOP(=O)(O)O1
InChIInChI=1S/C14H16NO6P/c16-13-10-6-3-4-7-11(10)14(17)15(13)12-8-2-1-5-9-20-22(18,19)21-12/h3-4,6-7,12H,1-2,5,8-9H2,(H,18,19)
InChIKeyDYDRJVTWAYRJKK-UHFFFAOYSA-N
XLogP2.32
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione (CID 142743075) is 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCCCOP(=O)(O)O1.
What is the InChIKey of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione?
The InChIKey is DYDRJVTWAYRJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO6P/c16-13-10-6-3-4-7-11(10)14(17)15(13)12-8-2-1-5-9-20-22(18,19)21-12/h3-4,6-7,12H,1-2,5,8-9H2,(H,18,19).
What are the key properties of 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione?
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione has a molecular weight of 325.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 142743075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).