6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline

C9H11NO2 — CID 36937

IUPAC1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESC1CNCC2=CC(=C(C=C21)O)O
InChIInChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
InChIKeyMBFUSGLXKQWVDW-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.60
Rot. Bonds

About 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline

6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 36937) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-6,7-diol.

Molecular Properties

Compound Name6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID36937
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESC1CNCC2=CC(=C(C=C21)O)O
InChIInChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
InChIKeyMBFUSGLXKQWVDW-UHFFFAOYSA-N
XLogP0.60
TPSA52.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity163

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Higenamine
CID 114840
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
CID 15623
Epinine
CID 4382
Tetrahydropapaveroline
CID 18519
(RS)-Salsolinol
CID 54456
(-)-Higenamine
CID 440927
Salsolinol
CID 91588
Dihydrexidine
CID 5311070
Methyldopamine hydrochloride
CID 86470
(S)-Norlaudanosoline
CID 439845
Dar-0100a
CID 6603820
Norbelladine
CID 416247

Frequently Asked Questions

What is the IUPAC name of 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline (CID 36937) is 1,2,3,4-tetrahydroisoquinoline-6,7-diol.
What is the SMILES notation for 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline is C1CNCC2=CC(=C(C=C21)O)O.
What is the InChIKey of 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MBFUSGLXKQWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2.
What are the key properties of 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline?
6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 165.19 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 36937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).