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

C11H15NO — CID 22018521

IUPAC1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCC1NCCc2ccc(O)cc21
InChIInChI=1S/C11H15NO/c1-2-11-10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,11-13H,2,5-6H2,1H3
InChIKeyBUMWGEFVUQSVSY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds1

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

1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 22018521) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID22018521
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCC1NCCc2ccc(O)cc21
InChIInChI=1S/C11H15NO/c1-2-11-10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,11-13H,2,5-6H2,1H3
InChIKeyBUMWGEFVUQSVSY-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 22018521) is 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol is CCC1NCCc2ccc(O)cc21.
What is the InChIKey of 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is BUMWGEFVUQSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-11-10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,11-13H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 177.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 22018521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).