2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione

C19H19NO2 — CID 2189503

IUPAC2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-19(2,3)14-10-8-13(9-11-14)12-20-17(21)15-6-4-5-7-16(15)18(20)22/h4-11H,12H2,1-3H3
InChIKeyWNDGUOSBVPUVQD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.78
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione

2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione (PubChem CID 2189503) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione
PubChem CID2189503
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-19(2,3)14-10-8-13(9-11-14)12-20-17(21)15-6-4-5-7-16(15)18(20)22/h4-11H,12H2,1-3H3
InChIKeyWNDGUOSBVPUVQD-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione (CID 2189503) is 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione is CC(C)(C)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is WNDGUOSBVPUVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)14-10-8-13(9-11-14)12-20-17(21)15-6-4-5-7-16(15)18(20)22/h4-11H,12H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione?
2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 293.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2189503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).