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

C14H16BrNO4 — CID 13028612

IUPAC2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCBr
InChIInChI=1S/C14H16BrNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2
InChIKeyKDODZOZWGDTABT-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.71
Rot. Bonds8

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

2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione (PubChem CID 13028612) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
PubChem CID13028612
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCBr
InChIInChI=1S/C14H16BrNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2
InChIKeyKDODZOZWGDTABT-UHFFFAOYSA-N
XLogP1.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
CID 143275850
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione (CID 13028612) is 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOCCOCCBr.
What is the InChIKey of 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The InChIKey is KDODZOZWGDTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2.
What are the key properties of 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione?
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione has a molecular weight of 342.19 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 13028612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).