4-(2-phenylpropyl)isoindole-1,3-dione

C17H15NO2 — CID 142777474

IUPAC4-(2-phenylpropyl)isoindole-1,3-dione
SMILESCC(Cc1cccc2c1C(=O)NC2=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-14-15(13)17(20)18-16(14)19/h2-9,11H,10H2,1H3,(H,18,19,20)
InChIKeySHDMYSLSLNTBFY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-phenylpropyl)isoindole-1,3-dione

4-(2-phenylpropyl)isoindole-1,3-dione (PubChem CID 142777474) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-phenylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2-phenylpropyl)isoindole-1,3-dione
PubChem CID142777474
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(2-phenylpropyl)isoindole-1,3-dione
SMILESCC(Cc1cccc2c1C(=O)NC2=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-14-15(13)17(20)18-16(14)19/h2-9,11H,10H2,1H3,(H,18,19,20)
InChIKeySHDMYSLSLNTBFY-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dichloropropyl)isoindole-1,3-dione
CID 21495742
4-[(dimethylamino)methyl]isoindole-1,3-dione
CID 18348298
4-(1-phenylhexyl)isoindole-1,3-dione
CID 67700217
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
4-benzylisoindole-1,3-dione;methanedithioic acid
CID 175933098
4-(2-chloropropylsulfanyl)isoindole-1,3-dione
CID 54015095
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
4-(10-hydroxydecyl)isoindole-1,3-dione
CID 118982082
N-[(1,3-dioxoisoindol-4-yl)methyl]-N-[2,6-di(propan-2-yl)phenyl]methanesulfonamide
CID 70493560
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 22111154
1-(2,2-diphenylethyl)-2,3-diphenylbenzene
CID 173154166

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropyl)isoindole-1,3-dione?
The IUPAC name of 4-(2-phenylpropyl)isoindole-1,3-dione (CID 142777474) is 4-(2-phenylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(2-phenylpropyl)isoindole-1,3-dione?
The canonical SMILES for 4-(2-phenylpropyl)isoindole-1,3-dione is CC(Cc1cccc2c1C(=O)NC2=O)c1ccccc1.
What is the InChIKey of 4-(2-phenylpropyl)isoindole-1,3-dione?
The InChIKey is SHDMYSLSLNTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(12-6-3-2-4-7-12)10-13-8-5-9-14-15(13)17(20)18-16(14)19/h2-9,11H,10H2,1H3,(H,18,19,20).
What are the key properties of 4-(2-phenylpropyl)isoindole-1,3-dione?
4-(2-phenylpropyl)isoindole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 142777474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).