5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione

C18H17NO5 — CID 3528757

IUPAC5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-10-5-6-12-13(7-10)18(21)19(17(12)20)11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3
InChIKeyLYZAOROCZZOGTL-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.82
Rot. Bonds4

About 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione

5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione (PubChem CID 3528757) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
PubChem CID3528757
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-10-5-6-12-13(7-10)18(21)19(17(12)20)11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3
InChIKeyLYZAOROCZZOGTL-UHFFFAOYSA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.82
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 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione (CID 3528757) is 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione is COc1cc(N2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC.
What is the InChIKey of 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
The InChIKey is LYZAOROCZZOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10-5-6-12-13(7-10)18(21)19(17(12)20)11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3.
What are the key properties of 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione?
5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione has a molecular weight of 327.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3528757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).