About 1,2,3,4-tetrahydroisoquinolin-1-ol
1,2,3,4-tetrahydroisoquinolin-1-ol (PubChem CID 22335318) has the molecular formula C9H11NO
and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-1-ol.
Molecular Properties
| Compound Name | 1,2,3,4-tetrahydroisoquinolin-1-ol |
|---|
| PubChem CID | 22335318 |
|---|
| Molecular Formula | C9H11NO |
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| Molecular Weight | 149.19 g/mol |
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| Exact Mass | 149.08 |
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| IUPAC Name | 1,2,3,4-tetrahydroisoquinolin-1-ol |
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| SMILES | OC1NCCc2ccccc21 |
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| InChI | InChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4,9-11H,5-6H2 |
|---|
| InChIKey | FMRFUKZPHGBWHF-UHFFFAOYSA-N |
|---|
| XLogP | 0.82 |
|---|
| TPSA | 32.26 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
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| Complexity | — |
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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 |
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Frequently Asked Questions
What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ol (CID 22335318) is 1,2,3,4-tetrahydroisoquinolin-1-ol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-1-ol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-1-ol is OC1NCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-1-ol?
The InChIKey is FMRFUKZPHGBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4,9-11H,5-6H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-1-ol?
1,2,3,4-tetrahydroisoquinolin-1-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-1-ol is sourced from PubChem (CID 22335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).