2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione

C17H15NO3 — CID 67860386

IUPAC2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione
SMILESCC[C@H](O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO3/c1-2-15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)17(18)21/h3-10,15,19H,2H2,1H3/t15-/m0/s1
InChIKeyHQOFWNDRUPOIRJ-HNNXBMFYSA-N
MW281.31 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione

2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione (PubChem CID 67860386) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione
PubChem CID67860386
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione
SMILESCC[C@H](O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO3/c1-2-15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)17(18)21/h3-10,15,19H,2H2,1H3/t15-/m0/s1
InChIKeyHQOFWNDRUPOIRJ-HNNXBMFYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.93
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-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione (CID 67860386) is 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione is CC[C@H](O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione?
The InChIKey is HQOFWNDRUPOIRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)17(18)21/h3-10,15,19H,2H2,1H3/t15-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione?
2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-hydroxypropyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 67860386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).