3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one

C17H17NO3 — CID 3653878

IUPAC3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2OC)cc1
InChIInChI=1S/C17H17NO3/c1-20-13-9-7-12(8-10-13)11-18-16(19)14-5-3-4-6-15(14)17(18)21-2/h3-10,17H,11H2,1-2H3
InChIKeyCAFWLMUFXVMLDA-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds4

About 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one

3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one (PubChem CID 3653878) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
PubChem CID3653878
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2OC)cc1
InChIInChI=1S/C17H17NO3/c1-20-13-9-7-12(8-10-13)11-18-16(19)14-5-3-4-6-15(14)17(18)21-2/h3-10,17H,11H2,1-2H3
InChIKeyCAFWLMUFXVMLDA-UHFFFAOYSA-N
XLogP3.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-[(4-methoxyphenyl)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 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one (CID 3653878) is 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one is COc1ccc(CN2C(=O)c3ccccc3C2OC)cc1.
What is the InChIKey of 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one?
The InChIKey is CAFWLMUFXVMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-13-9-7-12(8-10-13)11-18-16(19)14-5-3-4-6-15(14)17(18)21-2/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one?
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 3653878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).