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

C17H15NO3 — CID 105059304

IUPAC2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(CO)(c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c1-17(11-19,12-7-3-2-4-8-12)18-15(20)13-9-5-6-10-14(13)16(18)21/h2-10,19H,11H2,1H3
InChIKeyKPOQCZMYDSWCQV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.19
Rot. Bonds3

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

2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione (PubChem CID 105059304) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
PubChem CID105059304
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
SMILESCC(CO)(c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c1-17(11-19,12-7-3-2-4-8-12)18-15(20)13-9-5-6-10-14(13)16(18)21/h2-10,19H,11H2,1H3
InChIKeyKPOQCZMYDSWCQV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-phenylpropanoate
CID 90089997
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
CID 105059300
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
1-(1-hydroxy-2-phenylpropan-2-yl)imidazolidin-2-one
CID 105059255
2-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylideneisoindol-1-one
CID 107866906
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
CID 87759453
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione (CID 105059304) is 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione is CC(CO)(c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione?
The InChIKey is KPOQCZMYDSWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17(11-19,12-7-3-2-4-8-12)18-15(20)13-9-5-6-10-14(13)16(18)21/h2-10,19H,11H2,1H3.
What are the key properties of 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione?
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 105059304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).