2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione

C16H13NO4 — CID 717891

IUPAC2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H13NO4/c1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3
InChIKeyHKVUKOYOPFEIBG-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.42
Rot. Bonds4

About 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione

2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione (PubChem CID 717891) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione
PubChem CID717891
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H13NO4/c1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3
InChIKeyHKVUKOYOPFEIBG-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione (CID 717891) is 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione is COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The InChIKey is HKVUKOYOPFEIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione?
2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione has a molecular weight of 283.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 717891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).