2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol

C16H11F2NO2 — CID 91484872

IUPAC2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol
SMILESC=c1ccc(=C)c2c(O)n(-c3ccc(F)cc3F)c(O)c12
InChIInChI=1S/C16H11F2NO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(17)7-11(12)18/h3-7,20-21H,1-2H2
InChIKeyXANRMGFTZQSPHA-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.14
Rot. Bonds1

About 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol

2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol (PubChem CID 91484872) has the molecular formula C16H11F2NO2 and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol
PubChem CID91484872
Molecular FormulaC16H11F2NO2
Molecular Weight287.26 g/mol
Exact Mass287.08
IUPAC Name2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol
SMILESC=c1ccc(=C)c2c(O)n(-c3ccc(F)cc3F)c(O)c12
InChIInChI=1S/C16H11F2NO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(17)7-11(12)18/h3-7,20-21H,1-2H2
InChIKeyXANRMGFTZQSPHA-UHFFFAOYSA-N
XLogP2.14
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol?
The IUPAC name of 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol (CID 91484872) is 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol is C=c1ccc(=C)c2c(O)n(-c3ccc(F)cc3F)c(O)c12.
What is the InChIKey of 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol?
The InChIKey is XANRMGFTZQSPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-8-3-4-9(2)14-13(8)15(20)19(16(14)21)12-6-5-10(17)7-11(12)18/h3-7,20-21H,1-2H2.
What are the key properties of 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol?
2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol has a molecular weight of 287.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4,7-dimethylideneisoindole-1,3-diol is sourced from PubChem (CID 91484872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).