5-methyl-1,2,3,4-tetrahydroquinolin-8-ol

C10H13NO — CID 84651685

IUPAC5-methyl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCc1ccc(O)c2c1CCCN2
InChIInChI=1S/C10H13NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h4-5,11-12H,2-3,6H2,1H3
InChIKeyGXXGXBKISXTVLK-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.06
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol

5-methyl-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 84651685) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID84651685
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-methyl-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCc1ccc(O)c2c1CCCN2
InChIInChI=1S/C10H13NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h4-5,11-12H,2-3,6H2,1H3
InChIKeyGXXGXBKISXTVLK-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol (CID 84651685) is 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol is Cc1ccc(O)c2c1CCCN2.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is GXXGXBKISXTVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h4-5,11-12H,2-3,6H2,1H3.
What are the key properties of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol?
5-methyl-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 163.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 84651685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).