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

C17H15NO4 — CID 17169748

IUPAC2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
SMILESCOCCOc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO4/c1-21-9-10-22-13-6-4-5-12(11-13)18-16(19)14-7-2-3-8-15(14)17(18)20/h2-8,11H,9-10H2,1H3
InChIKeyRVOUGVVFLJZJMK-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.51
Rot. Bonds5

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

2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione (PubChem CID 17169748) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
PubChem CID17169748
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
SMILESCOCCOc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO4/c1-21-9-10-22-13-6-4-5-12(11-13)18-16(19)14-7-2-3-8-15(14)17(18)20/h2-8,11H,9-10H2,1H3
InChIKeyRVOUGVVFLJZJMK-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione (CID 17169748) is 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione is COCCOc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione?
The InChIKey is RVOUGVVFLJZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-9-10-22-13-6-4-5-12(11-13)18-16(19)14-7-2-3-8-15(14)17(18)20/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione?
2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione has a molecular weight of 297.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 17169748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).