2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione

C20H21NO3 — CID 11723708

IUPAC2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
InChIKeyLAKWINYVWJPHQW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.44
Rot. Bonds3

About 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione

2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione (PubChem CID 11723708) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione
PubChem CID11723708
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
InChIKeyLAKWINYVWJPHQW-UHFFFAOYSA-N
XLogP4.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
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-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione (CID 11723708) is 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione?
The InChIKey is LAKWINYVWJPHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione?
2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione has a molecular weight of 323.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 11723708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).