4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione

C14H16INO4 — CID 103415708

IUPAC4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
SMILESCOCCOCCCN1C(=O)c2cccc(I)c2C1=O
InChIInChI=1S/C14H16INO4/c1-19-8-9-20-7-3-6-16-13(17)10-4-2-5-11(15)12(10)14(16)18/h2,4-5H,3,6-9H2,1H3
InChIKeySNZAGQZKXSYMJC-UHFFFAOYSA-N
MW389.19 g/mol
LogP1.94
Rot. Bonds7

About 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione

4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione (PubChem CID 103415708) has the molecular formula C14H16INO4 and a molecular weight of 389.19 g/mol. Its IUPAC name is 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
PubChem CID103415708
Molecular FormulaC14H16INO4
Molecular Weight389.19 g/mol
Exact Mass389.01
IUPAC Name4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
SMILESCOCCOCCCN1C(=O)c2cccc(I)c2C1=O
InChIInChI=1S/C14H16INO4/c1-19-8-9-20-7-3-6-16-13(17)10-4-2-5-11(15)12(10)14(16)18/h2,4-5H,3,6-9H2,1H3
InChIKeySNZAGQZKXSYMJC-UHFFFAOYSA-N
XLogP1.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
4-iodo-2-(2-methylsulfonylethyl)isoindole-1,3-dione
CID 79785427
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
4-iodo-2-(2-phenylethyl)isoindole-1,3-dione
CID 79785519
6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
4-iodo-2-[3-(2-methyl-3-pyridinyl)propyl]isoindole-1,3-dione
CID 70279116
4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410240
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione?
The IUPAC name of 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione (CID 103415708) is 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione.
What is the SMILES notation for 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione?
The canonical SMILES for 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione is COCCOCCCN1C(=O)c2cccc(I)c2C1=O.
What is the InChIKey of 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione?
The InChIKey is SNZAGQZKXSYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4/c1-19-8-9-20-7-3-6-16-13(17)10-4-2-5-11(15)12(10)14(16)18/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione?
4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione has a molecular weight of 389.19 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione is sourced from PubChem (CID 103415708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).