(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

C10H13NO — CID 168966556

IUPAC(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESC[C@H]1NCC(O)c2ccccc21
InChIInChI=1S/C10H13NO/c1-7-8-4-2-3-5-9(8)10(12)6-11-7/h2-5,7,10-12H,6H2,1H3/t7-,10?/m1/s1
InChIKeyGQLDKRHWSODCHU-PVSHWOEXSA-N
MW163.22 g/mol
LogP1.38
Rot. Bonds

About (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 168966556) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID168966556
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESC[C@H]1NCC(O)c2ccccc21
InChIInChI=1S/C10H13NO/c1-7-8-4-2-3-5-9(8)10(12)6-11-7/h2-5,7,10-12H,6H2,1H3/t7-,10?/m1/s1
InChIKeyGQLDKRHWSODCHU-PVSHWOEXSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 168966556) is (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is C[C@H]1NCC(O)c2ccccc21.
What is the InChIKey of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is GQLDKRHWSODCHU-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-8-4-2-3-5-9(8)10(12)6-11-7/h2-5,7,10-12H,6H2,1H3/t7-,10?/m1/s1.
What are the key properties of (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
(1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 163.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 168966556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).