2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione

C22H17NO3 — CID 134107407

IUPAC2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
SMILESCc1c(CON2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1
InChIInChI=1S/C22H17NO3/c1-15-17(10-7-13-18(15)16-8-3-2-4-9-16)14-26-23-21(24)19-11-5-6-12-20(19)22(23)25/h2-13H,14H2,1H3
InChIKeyWPBLZJSIBVIUDC-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.39
Rot. Bonds4

About 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione

2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione (PubChem CID 134107407) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
PubChem CID134107407
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
SMILESCc1c(CON2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1
InChIInChI=1S/C22H17NO3/c1-15-17(10-7-13-18(15)16-8-3-2-4-9-16)14-26-23-21(24)19-11-5-6-12-20(19)22(23)25/h2-13H,14H2,1H3
InChIKeyWPBLZJSIBVIUDC-UHFFFAOYSA-N
XLogP4.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.39
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-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione (CID 134107407) is 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione is Cc1c(CON2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1.
What is the InChIKey of 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione?
The InChIKey is WPBLZJSIBVIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-15-17(10-7-13-18(15)16-8-3-2-4-9-16)14-26-23-21(24)19-11-5-6-12-20(19)22(23)25/h2-13H,14H2,1H3.
What are the key properties of 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione?
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 134107407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).