5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol

C10H13NO2 — CID 130137804

IUPAC5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cccc2c1C(O)CCN2
InChIInChI=1S/C10H13NO2/c1-13-9-4-2-3-7-10(9)8(12)5-6-11-7/h2-4,8,11-12H,5-6H2,1H3
InChIKeyGUAGBSDXACXXML-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.54
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol

5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 130137804) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID130137804
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cccc2c1C(O)CCN2
InChIInChI=1S/C10H13NO2/c1-13-9-4-2-3-7-10(9)8(12)5-6-11-7/h2-4,8,11-12H,5-6H2,1H3
InChIKeyGUAGBSDXACXXML-UHFFFAOYSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol (CID 130137804) is 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol is COc1cccc2c1C(O)CCN2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is GUAGBSDXACXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-9-4-2-3-7-10(9)8(12)5-6-11-7/h2-4,8,11-12H,5-6H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol?
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 179.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 130137804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).