4-methoxy-2H-isoindole

C9H9NO — CID 142633953

IUPAC4-methoxy-2H-isoindole
SMILESCOc1cccc2c[nH]cc12
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-6,10H,1H3
InChIKeyIOBICLOAZHGZJG-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.18
Rot. Bonds1

About 4-methoxy-2H-isoindole

4-methoxy-2H-isoindole (PubChem CID 142633953) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methoxy-2H-isoindole.

Molecular Properties

Compound Name4-methoxy-2H-isoindole
PubChem CID142633953
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-methoxy-2H-isoindole
SMILESCOc1cccc2c[nH]cc12
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-6,10H,1H3
InChIKeyIOBICLOAZHGZJG-UHFFFAOYSA-N
XLogP2.18
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methoxy-2H-isoindole 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-methoxy-2H-isoindole?
The IUPAC name of 4-methoxy-2H-isoindole (CID 142633953) is 4-methoxy-2H-isoindole.
What is the SMILES notation for 4-methoxy-2H-isoindole?
The canonical SMILES for 4-methoxy-2H-isoindole is COc1cccc2c[nH]cc12.
What is the InChIKey of 4-methoxy-2H-isoindole?
The InChIKey is IOBICLOAZHGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-6,10H,1H3.
What are the key properties of 4-methoxy-2H-isoindole?
4-methoxy-2H-isoindole has a molecular weight of 147.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-isoindole is sourced from PubChem (CID 142633953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).