2-[(4-propylphenyl)methyl]isoindole-1,3-dione

C18H17NO2 — CID 118513791

IUPAC2-[(4-propylphenyl)methyl]isoindole-1,3-dione
SMILESCCCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO2/c1-2-5-13-8-10-14(11-9-13)12-19-17(20)15-6-3-4-7-16(15)18(19)21/h3-4,6-11H,2,5,12H2,1H3
InChIKeyLDDBIWIUJPPATC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About 2-[(4-propylphenyl)methyl]isoindole-1,3-dione

2-[(4-propylphenyl)methyl]isoindole-1,3-dione (PubChem CID 118513791) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-propylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-propylphenyl)methyl]isoindole-1,3-dione
PubChem CID118513791
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[(4-propylphenyl)methyl]isoindole-1,3-dione
SMILESCCCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO2/c1-2-5-13-8-10-14(11-9-13)12-19-17(20)15-6-3-4-7-16(15)18(19)21/h3-4,6-11H,2,5,12H2,1H3
InChIKeyLDDBIWIUJPPATC-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-propylphenyl)methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
2-[[4-(butylaminomethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959294
2-[(4-methylphenyl)methyl]-3-sulfanylideneisoindol-1-one
CID 166444706
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
CID 171374663
CID 171374663
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[[4-(difluoromethylsulfanyl)phenyl]methyl]isoindole-1,3-dione
CID 52801221
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
2-[[3-(propoxymethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959284
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-propylphenyl)methyl]isoindole-1,3-dione (CID 118513791) is 2-[(4-propylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-propylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-propylphenyl)methyl]isoindole-1,3-dione is CCCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-propylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is LDDBIWIUJPPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-5-13-8-10-14(11-9-13)12-19-17(20)15-6-3-4-7-16(15)18(19)21/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 2-[(4-propylphenyl)methyl]isoindole-1,3-dione?
2-[(4-propylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 118513791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).