2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione

C18H16FNO4 — CID 22157085

IUPAC2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(F)cc1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16FNO4/c1-2-23-15-8-7-12(19)11-16(15)24-10-9-20-17(21)13-5-3-4-6-14(13)18(20)22/h3-8,11H,2,9-10H2,1H3
InChIKeyTUENCTUBNKINOY-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.90
Rot. Bonds6

About 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione

2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione (PubChem CID 22157085) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
PubChem CID22157085
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(F)cc1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16FNO4/c1-2-23-15-8-7-12(19)11-16(15)24-10-9-20-17(21)13-5-3-4-6-14(13)18(20)22/h3-8,11H,2,9-10H2,1H3
InChIKeyTUENCTUBNKINOY-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[4-(2-chloro-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112787288
2-[4-(2-bromo-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112788012
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-ethylbenzenesulfonyl chloride
CID 52985853
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[7-[2-(4-ethoxyphenyl)phenoxy]heptyl]isoindole-1,3-dione
CID 70493533
2-[1-(3,4-diethoxyphenyl)-1-ethoxypropyl]isoindole-1,3-dione
CID 67579443

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione (CID 22157085) is 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione is CCOc1ccc(F)cc1OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is TUENCTUBNKINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-2-23-15-8-7-12(19)11-16(15)24-10-9-20-17(21)13-5-3-4-6-14(13)18(20)22/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione?
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione has a molecular weight of 329.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22157085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).