2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one

C15H12FNO2 — CID 141210836

IUPAC2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc(F)c(N2C(=O)c3ccccc3C2O)c1
InChIInChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8,14,18H,1H3
InChIKeyORZUDZQDXUTSSW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.79
Rot. Bonds1

About 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one

2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 141210836) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID141210836
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc(F)c(N2C(=O)c3ccccc3C2O)c1
InChIInChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8,14,18H,1H3
InChIKeyORZUDZQDXUTSSW-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 141210836) is 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one is Cc1ccc(F)c(N2C(=O)c3ccccc3C2O)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is ORZUDZQDXUTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8,14,18H,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one?
2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 257.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 141210836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).