2-(1-phenylethoxy)isoindole-1,3-dione

C16H13NO3 — CID 22487254

IUPAC2-(1-phenylethoxy)isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-11H,1H3
InChIKeyJVEOQDUSILEZTQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.98
Rot. Bonds3

About 2-(1-phenylethoxy)isoindole-1,3-dione

2-(1-phenylethoxy)isoindole-1,3-dione (PubChem CID 22487254) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(1-phenylethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenylethoxy)isoindole-1,3-dione
PubChem CID22487254
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(1-phenylethoxy)isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-11H,1H3
InChIKeyJVEOQDUSILEZTQ-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenylethoxy)isoindole-1,3-dione (CID 22487254) is 2-(1-phenylethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenylethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenylethoxy)isoindole-1,3-dione is CC(ON1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)isoindole-1,3-dione?
The InChIKey is JVEOQDUSILEZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-11H,1H3.
What are the key properties of 2-(1-phenylethoxy)isoindole-1,3-dione?
2-(1-phenylethoxy)isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)isoindole-1,3-dione is sourced from PubChem (CID 22487254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).