2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione

C16H12FNO4 — CID 121005400

IUPAC2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1ccc(O)cc1F
InChIInChI=1S/C16H12FNO4/c1-9(11-7-6-10(19)8-14(11)17)22-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-9,19H,1H3
InChIKeyJXYUHQIVCGDMKU-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione

2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione (PubChem CID 121005400) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione
PubChem CID121005400
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione
SMILESCC(ON1C(=O)c2ccccc2C1=O)c1ccc(O)cc1F
InChIInChI=1S/C16H12FNO4/c1-9(11-7-6-10(19)8-14(11)17)22-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-9,19H,1H3
InChIKeyJXYUHQIVCGDMKU-UHFFFAOYSA-N
XLogP2.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)isoindoline-1,3-dione
CID 135857233
2-(4-Hydroxybenzyl)isoindole-1,3-dione
CID 4388265
2-(3-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)propyl)isoindoline-1,3-dione
CID 135966064
2-((4-Methoxybenzyl)oxy)isoindoline-1,3-dione
CID 717891
2-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)isoindoline-1,3-dione
CID 135965912
2-[(4-fluorobenzyl)oxy]-1H-isoindole-1,3(2H)-dione
CID 1473713
2-[(2-fluorobenzyl)oxy]-1H-isoindole-1,3(2H)-dione
CID 1475857
2-[(3-fluorobenzyl)oxy]-1H-isoindole-1,3(2H)-dione
CID 1475858
2-(3,5-Difluorophenoxy)isoindole-1,3-dione
CID 68961324
2-(3-Fluorophenoxy)isoindoline-1,3-dione
CID 101125871
2-[2-(4-Hydroxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 577650
2-(1-Phenylethoxy)isoindoline-1,3-dione
CID 22487254

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione (CID 121005400) is 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione is CC(ON1C(=O)c2ccccc2C1=O)c1ccc(O)cc1F.
What is the InChIKey of 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The InChIKey is JXYUHQIVCGDMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-9(11-7-6-10(19)8-14(11)17)22-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-9,19H,1H3.
What are the key properties of 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione has a molecular weight of 301.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 121005400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).