2-(4-nitrophenoxy)isoindole-1,3-dione

C14H8N2O5 — CID 15370736

IUPAC2-(4-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8N2O5/c17-13-11-3-1-2-4-12(11)14(18)15(13)21-10-7-5-9(6-8-10)16(19)20/h1-8H
InChIKeyZCQGEGGBGCSMDI-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-nitrophenoxy)isoindole-1,3-dione

2-(4-nitrophenoxy)isoindole-1,3-dione (PubChem CID 15370736) has the molecular formula C14H8N2O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-nitrophenoxy)isoindole-1,3-dione
PubChem CID15370736
Molecular FormulaC14H8N2O5
Molecular Weight284.23 g/mol
Exact Mass284.04
IUPAC Name2-(4-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8N2O5/c17-13-11-3-1-2-4-12(11)14(18)15(13)21-10-7-5-9(6-8-10)16(19)20/h1-8H
InChIKeyZCQGEGGBGCSMDI-UHFFFAOYSA-N
XLogP2.18
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-nitrophenoxy)isoindole-1,3-dione (CID 15370736) is 2-(4-nitrophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-nitrophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-nitrophenoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)isoindole-1,3-dione?
The InChIKey is ZCQGEGGBGCSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O5/c17-13-11-3-1-2-4-12(11)14(18)15(13)21-10-7-5-9(6-8-10)16(19)20/h1-8H.
What are the key properties of 2-(4-nitrophenoxy)isoindole-1,3-dione?
2-(4-nitrophenoxy)isoindole-1,3-dione has a molecular weight of 284.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 15370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).