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

C21H15NO3 — CID 771534

IUPAC2-(4-phenylmethoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H15NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyJUOUMGCILMRHIX-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.07
Rot. Bonds4

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

2-(4-phenylmethoxyphenyl)isoindole-1,3-dione (PubChem CID 771534) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)isoindole-1,3-dione
PubChem CID771534
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-(4-phenylmethoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H15NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyJUOUMGCILMRHIX-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione (CID 771534) is 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione?
The InChIKey is JUOUMGCILMRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione?
2-(4-phenylmethoxyphenyl)isoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).