2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione

C19H13NO3 — CID 22131445

IUPAC2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2c1
InChIInChI=1S/C19H13NO3/c21-18-16-7-3-4-8-17(16)19(22)20(18)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2
InChIKeySHCYRMZMHLHLHU-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.57
Rot. Bonds3

About 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione

2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione (PubChem CID 22131445) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione
PubChem CID22131445
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2c1
InChIInChI=1S/C19H13NO3/c21-18-16-7-3-4-8-17(16)19(22)20(18)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2
InChIKeySHCYRMZMHLHLHU-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione (CID 22131445) is 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione?
The InChIKey is SHCYRMZMHLHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-18-16-7-3-4-8-17(16)19(22)20(18)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2.
What are the key properties of 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione?
2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethoxy)isoindole-1,3-dione is sourced from PubChem (CID 22131445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).