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

C10H13NO2 — CID 105438006

IUPAC4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCC1CNCc2c(O)cccc21
InChIInChI=1S/C10H13NO2/c12-6-7-4-11-5-9-8(7)2-1-3-10(9)13/h1-3,7,11-13H,4-6H2
InChIKeyMHAPSGPKKHBZSU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.57
Rot. Bonds1

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

4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105438006) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105438006
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCC1CNCc2c(O)cccc21
InChIInChI=1S/C10H13NO2/c12-6-7-4-11-5-9-8(7)2-1-3-10(9)13/h1-3,7,11-13H,4-6H2
InChIKeyMHAPSGPKKHBZSU-UHFFFAOYSA-N
XLogP0.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.57
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-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105447033
4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105459336
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
4-ethyl-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 115063778
N-[(8-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]ethanamine
CID 105482668
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
(7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
CID 82277392
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
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105438006) is 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is OCC1CNCc2c(O)cccc21.
What is the InChIKey of 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is MHAPSGPKKHBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-7-4-11-5-9-8(7)2-1-3-10(9)13/h1-3,7,11-13H,4-6H2.
What are the key properties of 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 179.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105438006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).