4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione

C18H16FNO4 — CID 11267474

IUPAC4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2cccc(OCc3ccc(F)cc3)c2C1=O
InChIInChI=1S/C18H16FNO4/c1-23-10-9-20-17(21)14-3-2-4-15(16(14)18(20)22)24-11-12-5-7-13(19)8-6-12/h2-8H,9-11H2,1H3
InChIKeyWHXNRZJKKCFKFX-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.65
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione

4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione (PubChem CID 11267474) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
PubChem CID11267474
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione
SMILESCOCCN1C(=O)c2cccc(OCc3ccc(F)cc3)c2C1=O
InChIInChI=1S/C18H16FNO4/c1-23-10-9-20-17(21)14-3-2-4-15(16(14)18(20)22)24-11-12-5-7-13(19)8-6-12/h2-8H,9-11H2,1H3
InChIKeyWHXNRZJKKCFKFX-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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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
2-[3-(2-allylphenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
CID 2916180
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 2193449
2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 2991897
2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]benzonitrile
CID 934406

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione (CID 11267474) is 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione is COCCN1C(=O)c2cccc(OCc3ccc(F)cc3)c2C1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
The InChIKey is WHXNRZJKKCFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-10-9-20-17(21)14-3-2-4-15(16(14)18(20)22)24-11-12-5-7-13(19)8-6-12/h2-8H,9-11H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione?
4-[(4-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 4-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 11267474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).