1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol

C15H23NO — CID 106778410

IUPAC1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCCCCCC1NCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-15-14-11-13(17)8-7-12(14)9-10-16-15/h7-8,11,15-17H,2-6,9-10H2,1H3
InChIKeyPBWQDGFRVFCZMJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.55
Rot. Bonds5

About 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol

1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106778410) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106778410
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCCCCCC1NCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-15-14-11-13(17)8-7-12(14)9-10-16-15/h7-8,11,15-17H,2-6,9-10H2,1H3
InChIKeyPBWQDGFRVFCZMJ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106778410) is 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol is CCCCCCC1NCCc2ccc(O)cc21.
What is the InChIKey of 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is PBWQDGFRVFCZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-15-14-11-13(17)8-7-12(14)9-10-16-15/h7-8,11,15-17H,2-6,9-10H2,1H3.
What are the key properties of 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 233.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106778410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).