2-methyl-3,4-dihydro-1H-isoquinolin-8-ol

C10H13NO — CID 12582381

IUPAC2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCN1CCc2cccc(O)c2C1
InChIInChI=1S/C10H13NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,12H,5-7H2,1H3
InChIKeySVLXGEARAXXBSX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.38
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol

2-methyl-3,4-dihydro-1H-isoquinolin-8-ol (PubChem CID 12582381) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
PubChem CID12582381
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCN1CCc2cccc(O)c2C1
InChIInChI=1S/C10H13NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,12H,5-7H2,1H3
InChIKeySVLXGEARAXXBSX-UHFFFAOYSA-N
XLogP1.38
TPSA23.47 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol (CID 12582381) is 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol is CN1CCc2cccc(O)c2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol?
The InChIKey is SVLXGEARAXXBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,12H,5-7H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol?
2-methyl-3,4-dihydro-1H-isoquinolin-8-ol has a molecular weight of 163.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 12582381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).