5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol

C11H15NO2 — CID 130035071

IUPAC5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol
SMILESCOc1c(C)cc2c(c1O)CN(C)C2
InChIInChI=1S/C11H15NO2/c1-7-4-8-5-12(2)6-9(8)10(13)11(7)14-3/h4,13H,5-6H2,1-3H3
InChIKeyGKDPWPNOFKBYAG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.65
Rot. Bonds1

About 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol

5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol (PubChem CID 130035071) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol.

Molecular Properties

Compound Name5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol
PubChem CID130035071
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol
SMILESCOc1c(C)cc2c(c1O)CN(C)C2
InChIInChI=1S/C11H15NO2/c1-7-4-8-5-12(2)6-9(8)10(13)11(7)14-3/h4,13H,5-6H2,1-3H3
InChIKeyGKDPWPNOFKBYAG-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol 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 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol?
The IUPAC name of 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol (CID 130035071) is 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol.
What is the SMILES notation for 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol?
The canonical SMILES for 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol is COc1c(C)cc2c(c1O)CN(C)C2.
What is the InChIKey of 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol?
The InChIKey is GKDPWPNOFKBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-8-5-12(2)6-9(8)10(13)11(7)14-3/h4,13H,5-6H2,1-3H3.
What are the key properties of 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol?
5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol has a molecular weight of 193.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol is sourced from PubChem (CID 130035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).