10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

C19H10FNO5 — CID 101402576

IUPAC10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESO=C1c2cc3ccc4c(c3c(-c3ccc(F)cc3)c2C(=O)N1O)OCO4
InChIInChI=1S/C19H10FNO5/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)26-8-25-13)7-12-16(14)19(23)21(24)18(12)22/h1-7,24H,8H2
InChIKeyVOGDJMXOSJTTKS-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds1

About 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (PubChem CID 101402576) has the molecular formula C19H10FNO5 and a molecular weight of 351.29 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.

Molecular Properties

Compound Name10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
PubChem CID101402576
Molecular FormulaC19H10FNO5
Molecular Weight351.29 g/mol
Exact Mass351.05
IUPAC Name10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESO=C1c2cc3ccc4c(c3c(-c3ccc(F)cc3)c2C(=O)N1O)OCO4
InChIInChI=1S/C19H10FNO5/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)26-8-25-13)7-12-16(14)19(23)21(24)18(12)22/h1-7,24H,8H2
InChIKeyVOGDJMXOSJTTKS-UHFFFAOYSA-N
XLogP3.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The IUPAC name of 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (CID 101402576) is 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.
What is the SMILES notation for 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The canonical SMILES for 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is O=C1c2cc3ccc4c(c3c(-c3ccc(F)cc3)c2C(=O)N1O)OCO4.
What is the InChIKey of 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The InChIKey is VOGDJMXOSJTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNO5/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)26-8-25-13)7-12-16(14)19(23)21(24)18(12)22/h1-7,24H,8H2.
What are the key properties of 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione has a molecular weight of 351.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is sourced from PubChem (CID 101402576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).