5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C20H18FNO4 — CID 22397117

IUPAC5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC1CCCO1
InChIInChI=1S/C20H18FNO4/c21-14-5-3-13(4-6-14)12-26-15-7-8-17-18(10-15)20(24)22(19(17)23)11-16-2-1-9-25-16/h3-8,10,16H,1-2,9,11-12H2
InChIKeyJQKYFOVQLFJMRB-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.18
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 22397117) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID22397117
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC1CCCO1
InChIInChI=1S/C20H18FNO4/c21-14-5-3-13(4-6-14)12-26-15-7-8-17-18(10-15)20(24)22(19(17)23)11-16-2-1-9-25-16/h3-8,10,16H,1-2,9,11-12H2
InChIKeyJQKYFOVQLFJMRB-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.18
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

5,5'-((1-Methylethylidene)bis(4,1-phenyleneoxy))bis(2-methyl-1H-isoindole-1,3(2H)-dione)
CID 108586
N-(4-methoxybenzyl)phthalimide
CID 519849
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
Falipamil
CID 71222
4-Phenoxyphthalimide
CID 834420
6-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]oxy-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164625366
4-(3-fluoro-5-hydroxyphenyl)-6-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-2,3-dihydroisoindol-1-one
CID 164626051

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 22397117) is 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is O=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC1CCCO1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is JQKYFOVQLFJMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-14-5-3-13(4-6-14)12-26-15-7-8-17-18(10-15)20(24)22(19(17)23)11-16-2-1-9-25-16/h3-8,10,16H,1-2,9,11-12H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 355.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 22397117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).