2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione

C16H11Cl2NO3 — CID 54043432

IUPAC2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2NO3/c1-9(14-12(17)7-4-8-13(14)18)22-19-15(20)10-5-2-3-6-11(10)16(19)21/h2-9H,1H3
InChIKeyLNXWQDFPSRRGPS-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.28
Rot. Bonds3

About 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione

2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione (PubChem CID 54043432) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione
PubChem CID54043432
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2NO3/c1-9(14-12(17)7-4-8-13(14)18)22-19-15(20)10-5-2-3-6-11(10)16(19)21/h2-9H,1H3
InChIKeyLNXWQDFPSRRGPS-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.28
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-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione (CID 54043432) is 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione is CC(ON1C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione?
The InChIKey is LNXWQDFPSRRGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c1-9(14-12(17)7-4-8-13(14)18)22-19-15(20)10-5-2-3-6-11(10)16(19)21/h2-9H,1H3.
What are the key properties of 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione?
2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione has a molecular weight of 336.17 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 54043432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).