2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione

C19H17NO5 — CID 971774

IUPAC2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1C
InChIInChI=1S/C19H17NO5/c1-11-16(24-2)9-8-14(17(11)25-3)15(21)10-20-18(22)12-6-4-5-7-13(12)19(20)23/h4-9H,10H2,1-3H3
InChIKeyDKHZLXXIONJXQG-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 971774) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID971774
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1C
InChIInChI=1S/C19H17NO5/c1-11-16(24-2)9-8-14(17(11)25-3)15(21)10-20-18(22)12-6-4-5-7-13(12)19(20)23/h4-9H,10H2,1-3H3
InChIKeyDKHZLXXIONJXQG-UHFFFAOYSA-N
XLogP2.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione (CID 971774) is 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione is COc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1C.
What is the InChIKey of 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is DKHZLXXIONJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-16(24-2)9-8-14(17(11)25-3)15(21)10-20-18(22)12-6-4-5-7-13(12)19(20)23/h4-9H,10H2,1-3H3.
What are the key properties of 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 339.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxy-3-methylphenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 971774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).