2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione

C17H15NO3 — CID 11323487

IUPAC2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,13,19H,10-11H2/t13-/m0/s1
InChIKeyWUQQWFQBZMAJLS-ZDUSSCGKSA-N
MW281.31 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione

2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione (PubChem CID 11323487) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione
PubChem CID11323487
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,13,19H,10-11H2/t13-/m0/s1
InChIKeyWUQQWFQBZMAJLS-ZDUSSCGKSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.89
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione (CID 11323487) is 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione?
The InChIKey is WUQQWFQBZMAJLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,13,19H,10-11H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione?
2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 11323487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).