2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium

C32H31NO5P+ — CID 21239171

IUPAC2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
SMILESO=C1c2ccccc2C(=O)N1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31NO5P/c34-31-29-18-10-11-19-30(29)32(35)33(31)38-23-22-36-20-21-37-24-25-39(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19H,20-25H2/q+1
InChIKeyFNQYYKVVJPJHSQ-UHFFFAOYSA-N
MW540.58 g/mol
LogP4.24
Rot. Bonds13

About 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium

2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium (PubChem CID 21239171) has the molecular formula C32H31NO5P+ and a molecular weight of 540.58 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
PubChem CID21239171
Molecular FormulaC32H31NO5P+
Molecular Weight540.58 g/mol
Exact Mass540.19
IUPAC Name2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
SMILESO=C1c2ccccc2C(=O)N1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31NO5P/c34-31-29-18-10-11-19-30(29)32(35)33(31)38-23-22-36-20-21-37-24-25-39(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19H,20-25H2/q+1
InChIKeyFNQYYKVVJPJHSQ-UHFFFAOYSA-N
XLogP4.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium?
The IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium (CID 21239171) is 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium is O=C1c2ccccc2C(=O)N1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium?
The InChIKey is FNQYYKVVJPJHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO5P/c34-31-29-18-10-11-19-30(29)32(35)33(31)38-23-22-36-20-21-37-24-25-39(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19H,20-25H2/q+1.
What are the key properties of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium?
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium has a molecular weight of 540.58 g/mol, XLogP of 4.24, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium is sourced from PubChem (CID 21239171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).