8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol

C13H19NO2 — CID 165468231

IUPAC8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cccc2c1NC(C(C)C)C(O)C2
InChIInChI=1S/C13H19NO2/c1-8(2)12-10(15)7-9-5-4-6-11(16-3)13(9)14-12/h4-6,8,10,12,14-15H,7H2,1-3H3
InChIKeyCQXOVUCLLVOGGL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds2

About 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol

8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 165468231) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID165468231
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cccc2c1NC(C(C)C)C(O)C2
InChIInChI=1S/C13H19NO2/c1-8(2)12-10(15)7-9-5-4-6-11(16-3)13(9)14-12/h4-6,8,10,12,14-15H,7H2,1-3H3
InChIKeyCQXOVUCLLVOGGL-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol (CID 165468231) is 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol is COc1cccc2c1NC(C(C)C)C(O)C2.
What is the InChIKey of 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is CQXOVUCLLVOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)12-10(15)7-9-5-4-6-11(16-3)13(9)14-12/h4-6,8,10,12,14-15H,7H2,1-3H3.
What are the key properties of 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol?
8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 165468231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).