2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol

C10H13NO2 — CID 42158

About 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol

2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol (PubChem CID 42158) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol.

Molecular Properties

• Compound Name: 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol
• PubChem CID: 42158
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.22 g/mol
• Exact Mass: 179.09
• IUPAC Name: 2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
• SMILES: CN1CC(C2=C(C1)C=CC(=C2)O)O
• InChIKey: GXNCQQCQUUCKLX-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 43.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 0
• Heavy Atoms: 13
• Complexity: 186

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.22
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3