1,2,3,4-tetrahydroisoquinolin-6-ol

C9H11NO — CID 26698

IUPAC1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2
InChIKeySCMZIFSYPJICCV-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.04
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinolin-6-ol

1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 26698) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID26698
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2
InChIKeySCMZIFSYPJICCV-UHFFFAOYSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-6-ol (CID 26698) is 1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-6-ol is Oc1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is SCMZIFSYPJICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-6-ol?
1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 149.19 g/mol, XLogP of 1.04, 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-6-ol is sourced from PubChem (CID 26698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).