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

C15H10FNO3 — CID 58053734

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(O)c(F)c1
InChIInChI=1S/C15H10FNO3/c16-12-7-9(5-6-13(12)18)8-17-14(19)10-3-1-2-4-11(10)15(17)20/h1-7,18H,8H2
InChIKeyXGMCQTKLYKGINY-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.33
Rot. Bonds2

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

2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 58053734) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione
PubChem CID58053734
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(O)c(F)c1
InChIInChI=1S/C15H10FNO3/c16-12-7-9(5-6-13(12)18)8-17-14(19)10-3-1-2-4-11(10)15(17)20/h1-7,18H,8H2
InChIKeyXGMCQTKLYKGINY-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.33
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 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione (CID 58053734) is 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(O)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is XGMCQTKLYKGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-7-9(5-6-13(12)18)8-17-14(19)10-3-1-2-4-11(10)15(17)20/h1-7,18H,8H2.
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione?
2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 271.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 58053734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).