[(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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Related Compounds

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CID 2733226
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CID 95489
(3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 712398
(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
CID 3752277
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
CID 246288
[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 776757
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride
CID 2724135
(7-Bromo-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 44287195
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907

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).