About 1,2,3,4-tetrahydroisoquinolin-4-ol
1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 11744792) has the molecular formula C9H11NO
and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-4-ol.
Molecular Properties
| Compound Name | 1,2,3,4-tetrahydroisoquinolin-4-ol |
|---|
| PubChem CID | 11744792 |
|---|
| Molecular Formula | C9H11NO |
|---|
| Molecular Weight | 149.19 g/mol |
|---|
| Exact Mass | 149.08 |
|---|
| IUPAC Name | 1,2,3,4-tetrahydroisoquinolin-4-ol |
|---|
| SMILES | OC1CNCc2ccccc21 |
|---|
| InChI | InChI=1S/C9H11NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-4,9-11H,5-6H2 |
|---|
| InChIKey | HTHIHJJKFYXSOQ-UHFFFAOYSA-N |
|---|
| XLogP | 0.82 |
|---|
| TPSA | 32.26 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 149.19 |
| LogP ≤ 5 | 0.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 1,2,3,4-tetrahydroisoquinolin-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 1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-4-ol (CID 11744792) is 1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-4-ol is OC1CNCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is HTHIHJJKFYXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-4,9-11H,5-6H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-4-ol?
1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 149.19 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 11744792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).