6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol

C9H10ClNO — CID 84659358

IUPAC6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOc1cc(Cl)cc2c1CNCC2
InChIInChI=1S/C9H10ClNO/c10-7-3-6-1-2-11-5-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2
InChIKeyYZKWFAGBQLVRPG-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.69
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol

6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 84659358) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID84659358
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOc1cc(Cl)cc2c1CNCC2
InChIInChI=1S/C9H10ClNO/c10-7-3-6-1-2-11-5-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2
InChIKeyYZKWFAGBQLVRPG-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 84659358) is 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol is Oc1cc(Cl)cc2c1CNCC2.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is YZKWFAGBQLVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-3-6-1-2-11-5-8(6)9(12)4-7/h3-4,11-12H,1-2,5H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol?
6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 183.64 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 84659358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).