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

C9H11NO2 — CID 3022115

IUPAC1,2,3,4-tetrahydroisoquinoline-4,6-diol
SMILESOc1ccc2c(c1)C(O)CNC2
InChIInChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2
InChIKeyLJRLBPHJWAJIOD-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.53
Rot. Bonds

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

1,2,3,4-tetrahydroisoquinoline-4,6-diol (PubChem CID 3022115) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-4,6-diol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-4,6-diol
PubChem CID3022115
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,2,3,4-tetrahydroisoquinoline-4,6-diol
SMILESOc1ccc2c(c1)C(O)CNC2
InChIInChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2
InChIKeyLJRLBPHJWAJIOD-UHFFFAOYSA-N
XLogP0.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-4,6-diol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-4,6-diol (CID 3022115) is 1,2,3,4-tetrahydroisoquinoline-4,6-diol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-4,6-diol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-4,6-diol is Oc1ccc2c(c1)C(O)CNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-4,6-diol?
The InChIKey is LJRLBPHJWAJIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-4,6-diol?
1,2,3,4-tetrahydroisoquinoline-4,6-diol has a molecular weight of 165.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-4,6-diol is sourced from PubChem (CID 3022115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).