4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one

C18H19NO4 — CID 178076110

IUPAC4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one
SMILESCOc1ccc(C2c3c(OC)cc(OC)cc3C(=O)N2C)cc1
InChIInChI=1S/C18H19NO4/c1-19-17(11-5-7-12(21-2)8-6-11)16-14(18(19)20)9-13(22-3)10-15(16)23-4/h5-10,17H,1-4H3
InChIKeyDKWLZBXMGZYJEQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.89
Rot. Bonds4

About 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one

4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one (PubChem CID 178076110) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one
PubChem CID178076110
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one
SMILESCOc1ccc(C2c3c(OC)cc(OC)cc3C(=O)N2C)cc1
InChIInChI=1S/C18H19NO4/c1-19-17(11-5-7-12(21-2)8-6-11)16-14(18(19)20)9-13(22-3)10-15(16)23-4/h5-10,17H,1-4H3
InChIKeyDKWLZBXMGZYJEQ-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one (CID 178076110) is 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one is COc1ccc(C2c3c(OC)cc(OC)cc3C(=O)N2C)cc1.
What is the InChIKey of 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one?
The InChIKey is DKWLZBXMGZYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19-17(11-5-7-12(21-2)8-6-11)16-14(18(19)20)9-13(22-3)10-15(16)23-4/h5-10,17H,1-4H3.
What are the key properties of 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one?
4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 313.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 178076110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).