5-phenoxyisoindole-1,3-dione

C14H9NO3 — CID 834420

IUPAC5-phenoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H9NO3/c16-13-11-7-6-10(8-12(11)14(17)15-13)18-9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChIKeyADMMGQSIWCCWJV-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.36
Rot. Bonds2

About 5-phenoxyisoindole-1,3-dione

5-phenoxyisoindole-1,3-dione (PubChem CID 834420) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-phenoxyisoindole-1,3-dione.

Molecular Properties

Compound Name5-phenoxyisoindole-1,3-dione
PubChem CID834420
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name5-phenoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H9NO3/c16-13-11-7-6-10(8-12(11)14(17)15-13)18-9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChIKeyADMMGQSIWCCWJV-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.36
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 5-phenoxyisoindole-1,3-dione?
The IUPAC name of 5-phenoxyisoindole-1,3-dione (CID 834420) is 5-phenoxyisoindole-1,3-dione.
What is the SMILES notation for 5-phenoxyisoindole-1,3-dione?
The canonical SMILES for 5-phenoxyisoindole-1,3-dione is O=C1NC(=O)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 5-phenoxyisoindole-1,3-dione?
The InChIKey is ADMMGQSIWCCWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-13-11-7-6-10(8-12(11)14(17)15-13)18-9-4-2-1-3-5-9/h1-8H,(H,15,16,17).
What are the key properties of 5-phenoxyisoindole-1,3-dione?
5-phenoxyisoindole-1,3-dione has a molecular weight of 239.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxyisoindole-1,3-dione is sourced from PubChem (CID 834420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).