1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride

C9H12ClNO — CID 2752310

IUPAC1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H11NO.ClH/c11-9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyZVQYIOOMWIVFQP-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.46
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride

1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride (PubChem CID 2752310) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
PubChem CID2752310
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
SMILESCl.Oc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H11NO.ClH/c11-9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyZVQYIOOMWIVFQP-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.46
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-7-ol;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride (CID 2752310) is 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride is Cl.Oc1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride?
The InChIKey is ZVQYIOOMWIVFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c11-9-2-1-7-3-4-10-6-8(7)5-9;/h1-2,5,10-11H,3-4,6H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride?
1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.46, 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-7-ol;hydrochloride is sourced from PubChem (CID 2752310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).