3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one

C15H10F3NO2 — CID 57326487

IUPAC3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one
SMILESO=C1NC(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-7-5-9(6-8-10)14(21)12-4-2-1-3-11(12)13(20)19-14/h1-8,21H,(H,19,20)
InChIKeyORXXMYCWEGYESN-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.64
Rot. Bonds1

About 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one

3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one (PubChem CID 57326487) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one
PubChem CID57326487
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one
SMILESO=C1NC(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-7-5-9(6-8-10)14(21)12-4-2-1-3-11(12)13(20)19-14/h1-8,21H,(H,19,20)
InChIKeyORXXMYCWEGYESN-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one?
The IUPAC name of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one (CID 57326487) is 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one is O=C1NC(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one?
The InChIKey is ORXXMYCWEGYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)10-7-5-9(6-8-10)14(21)12-4-2-1-3-11(12)13(20)19-14/h1-8,21H,(H,19,20).
What are the key properties of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one?
3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one has a molecular weight of 293.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]-2H-isoindol-1-one is sourced from PubChem (CID 57326487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).