2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione

C17H15NO3 — CID 58758682

IUPAC2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
SMILESCCOc1cc(C)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c1-3-21-15-10-11(2)8-9-14(15)18-16(19)12-6-4-5-7-13(12)17(18)20/h4-10H,3H2,1-2H3
InChIKeyQPCITGMHGBWNPD-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione

2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione (PubChem CID 58758682) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
PubChem CID58758682
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
SMILESCCOc1cc(C)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c1-3-21-15-10-11(2)8-9-14(15)18-16(19)12-6-4-5-7-13(12)17(18)20/h4-10H,3H2,1-2H3
InChIKeyQPCITGMHGBWNPD-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione
CID 168517756
2-[4-methyl-2-(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)isoindole-1,3-dione
CID 139773417
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579398
2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516160
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
1-(2-ethoxyphenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110573444
2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
CID 168517399
2-[1-(3,4-diethoxyphenyl)-1-ethoxypropyl]isoindole-1,3-dione
CID 67579443
3-[benzyl(methyl)amino]-1-(2-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573432
2-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]isoindole-1,3-dione
CID 130771607
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)pyrrole-2,5-dione
CID 110579403

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione (CID 58758682) is 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione is CCOc1cc(C)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione?
The InChIKey is QPCITGMHGBWNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-21-15-10-11(2)8-9-14(15)18-16(19)12-6-4-5-7-13(12)17(18)20/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione?
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 58758682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).