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

C10H13NO — CID 723422

IUPAC[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKeyZSKDXMLMMQFHGW-SNVBAGLBSA-N
MW163.22 g/mol
LogP0.69
Rot. Bonds1

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

[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 723422) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID723422
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESOC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKeyZSKDXMLMMQFHGW-SNVBAGLBSA-N
XLogP0.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 723422) is [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is OC[C@H]1Cc2ccccc2CN1.
What is the InChIKey of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is ZSKDXMLMMQFHGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1.
What are the key properties of [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 163.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 723422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).