4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

C22H16FNO3 — CID 175366941

IUPAC4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-c3ccc(F)cc3)c2C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C22H16FNO3/c23-16-8-6-15(7-9-16)18-2-1-3-19-20(18)22(27)24(21(19)26)13-12-14-4-10-17(25)11-5-14/h1-11,25H,12-13H2
InChIKeyVYWMWWJHFRIXOO-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.04
Rot. Bonds4

About 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 175366941) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID175366941
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-c3ccc(F)cc3)c2C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C22H16FNO3/c23-16-8-6-15(7-9-16)18-2-1-3-19-20(18)22(27)24(21(19)26)13-12-14-4-10-17(25)11-5-14/h1-11,25H,12-13H2
InChIKeyVYWMWWJHFRIXOO-UHFFFAOYSA-N
XLogP4.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 175366941) is 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is O=C1c2cccc(-c3ccc(F)cc3)c2C(=O)N1CCc1ccc(O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is VYWMWWJHFRIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c23-16-8-6-15(7-9-16)18-2-1-3-19-20(18)22(27)24(21(19)26)13-12-14-4-10-17(25)11-5-14/h1-11,25H,12-13H2.
What are the key properties of 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 361.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 175366941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).