[(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C10H12INO — CID 130961541

IUPAC[(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@H]1Cc2cc(I)ccc2CN1
InChIInChI=1S/C10H12INO/c11-9-2-1-7-5-12-10(6-13)4-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1
InChIKeyRXROIHWDMZHRCK-SNVBAGLBSA-N
MW289.12 g/mol
LogP1.30
Rot. Bonds1

About [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 130961541) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID130961541
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name[(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@H]1Cc2cc(I)ccc2CN1
InChIInChI=1S/C10H12INO/c11-9-2-1-7-5-12-10(6-13)4-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1
InChIKeyRXROIHWDMZHRCK-SNVBAGLBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 130961541) is [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is OC[C@H]1Cc2cc(I)ccc2CN1.
What is the InChIKey of [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is RXROIHWDMZHRCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12INO/c11-9-2-1-7-5-12-10(6-13)4-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m1/s1.
What are the key properties of [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3R)-6-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 [(3R)-6-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 130961541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).