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

C19H19NO5 — CID 118731147

IUPAC5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-11-5-6-13-14(7-11)19(22)20(18(13)21)10-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,10H2,1-4H3
InChIKeyCVTIIWYEXAPUHO-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.82
Rot. Bonds5

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

5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 118731147) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
PubChem CID118731147
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-11-5-6-13-14(7-11)19(22)20(18(13)21)10-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,10H2,1-4H3
InChIKeyCVTIIWYEXAPUHO-UHFFFAOYSA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
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)methyl]isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione (CID 118731147) is 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione is COc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC.
What is the InChIKey of 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is CVTIIWYEXAPUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-5-6-13-14(7-11)19(22)20(18(13)21)10-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,10H2,1-4H3.
What are the key properties of 5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 341.36 g/mol, XLogP of 2.82, 5 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)methyl]isoindole-1,3-dione is sourced from PubChem (CID 118731147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).