4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

C11H15NO2 — CID 105447033

IUPAC4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCCC1CNCc2c(O)cccc21
InChIInChI=1S/C11H15NO2/c13-5-4-8-6-12-7-10-9(8)2-1-3-11(10)14/h1-3,8,12-14H,4-7H2
InChIKeyZZKCSLJLYKSKAI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.96
Rot. Bonds2

About 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105447033) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105447033
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCCC1CNCc2c(O)cccc21
InChIInChI=1S/C11H15NO2/c13-5-4-8-6-12-7-10-9(8)2-1-3-11(10)14/h1-3,8,12-14H,4-7H2
InChIKeyZZKCSLJLYKSKAI-UHFFFAOYSA-N
XLogP0.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438006
4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105459336
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
4-ethyl-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 115063778
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
N-[(8-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]ethanamine
CID 105482668
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
CID 105498073
1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105490085

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105447033) is 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is OCCC1CNCc2c(O)cccc21.
What is the InChIKey of 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is ZZKCSLJLYKSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-5-4-8-6-12-7-10-9(8)2-1-3-11(10)14/h1-3,8,12-14H,4-7H2.
What are the key properties of 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 193.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).