2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione

C13H15NO4 — CID 51354110

IUPAC2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione
SMILESCOCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO4/c1-17-8-9-18-7-6-14-12(15)10-4-2-3-5-11(10)13(14)16/h2-5H,6-9H2,1H3
InChIKeyKOKCEBFIVUYHAQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione

2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione (PubChem CID 51354110) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione
PubChem CID51354110
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione
SMILESCOCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO4/c1-17-8-9-18-7-6-14-12(15)10-4-2-3-5-11(10)13(14)16/h2-5H,6-9H2,1H3
InChIKeyKOKCEBFIVUYHAQ-UHFFFAOYSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
N-Methylphthalimide
CID 11074
Ditalimfos
CID 21207
Phosmet oxon
CID 77323
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Carbethoxyphthalimide
CID 31187
N-Phthaloylglycine
CID 20825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione (CID 51354110) is 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione is COCCOCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione?
The InChIKey is KOKCEBFIVUYHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-8-9-18-7-6-14-12(15)10-4-2-3-5-11(10)13(14)16/h2-5H,6-9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione?
2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione has a molecular weight of 249.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 51354110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).