5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione

C18H16FNO4 — CID 10149849

IUPAC5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(OCc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H16FNO4/c1-23-8-7-20-17(21)15-6-5-14(10-16(15)18(20)22)24-11-12-3-2-4-13(19)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyHAIYETCLIAXXTI-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.65
Rot. Bonds6

About 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione

5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione (PubChem CID 10149849) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
PubChem CID10149849
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(OCc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C18H16FNO4/c1-23-8-7-20-17(21)15-6-5-14(10-16(15)18(20)22)24-11-12-3-2-4-13(19)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyHAIYETCLIAXXTI-UHFFFAOYSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione (CID 10149849) is 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione is COCCN1C(=O)c2ccc(OCc3cccc(F)c3)cc2C1=O.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The InChIKey is HAIYETCLIAXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-8-7-20-17(21)15-6-5-14(10-16(15)18(20)22)24-11-12-3-2-4-13(19)9-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione has a molecular weight of 329.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 10149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).