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

C10H13NO2 — CID 105438005

IUPAC3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCC1Cc2cccc(O)c2CN1
InChIInChI=1S/C10H13NO2/c12-6-8-4-7-2-1-3-10(13)9(7)5-11-8/h1-3,8,11-13H,4-6H2
InChIKeyFSRNNAFXBZVIBU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.40
Rot. Bonds1

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

3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105438005) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105438005
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOCC1Cc2cccc(O)c2CN1
InChIInChI=1S/C10H13NO2/c12-6-8-4-7-2-1-3-10(13)9(7)5-11-8/h1-3,8,11-13H,4-6H2
InChIKeyFSRNNAFXBZVIBU-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105438005) is 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is OCC1Cc2cccc(O)c2CN1.
What is the InChIKey of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is FSRNNAFXBZVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-8-4-7-2-1-3-10(13)9(7)5-11-8/h1-3,8,11-13H,4-6H2.
What are the key properties of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 179.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105438005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).