[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C10H12INO — CID 130977729

IUPAC[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@@H]1Cc2c(I)cccc2CN1
InChIInChI=1S/C10H12INO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2/t8-/m0/s1
InChIKeySXMXYKGLTVJBOV-QMMMGPOBSA-N
MW289.12 g/mol
LogP1.30
Rot. Bonds1

About [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 130977729) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID130977729
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@@H]1Cc2c(I)cccc2CN1
InChIInChI=1S/C10H12INO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2/t8-/m0/s1
InChIKeySXMXYKGLTVJBOV-QMMMGPOBSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 130977729) is [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is OC[C@@H]1Cc2c(I)cccc2CN1.
What is the InChIKey of [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is SXMXYKGLTVJBOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12INO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2/t8-/m0/s1.
What are the key properties of [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 289.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 130977729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).