(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

C10H13NO2 — CID 96972794

IUPAC(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOC[C@@H]1NCCc2cc(O)ccc21
InChIInChI=1S/C10H13NO2/c12-6-10-9-2-1-8(13)5-7(9)3-4-11-10/h1-2,5,10-13H,3-4,6H2/t10-/m0/s1
InChIKeyPIKHZVVSUCIIAT-JTQLQIEISA-N
MW179.22 g/mol
LogP0.57
Rot. Bonds1

About (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 96972794) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID96972794
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOC[C@@H]1NCCc2cc(O)ccc21
InChIInChI=1S/C10H13NO2/c12-6-10-9-2-1-8(13)5-7(9)3-4-11-10/h1-2,5,10-13H,3-4,6H2/t10-/m0/s1
InChIKeyPIKHZVVSUCIIAT-JTQLQIEISA-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

Analyze (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 67158558
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495017
(1S)-1-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10118674
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96995480
1-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 83365715
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 22298077

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 96972794) is (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is OC[C@@H]1NCCc2cc(O)ccc21.
What is the InChIKey of (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is PIKHZVVSUCIIAT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-10-9-2-1-8(13)5-7(9)3-4-11-10/h1-2,5,10-13H,3-4,6H2/t10-/m0/s1.
What are the key properties of (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-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 (1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 96972794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).