3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol

C13H19NO2 — CID 79746208

IUPAC3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
SMILESCOCCC(O)C1CCCc2cccnc21
InChIInChI=1S/C13H19NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11-12,15H,2,4,6-7,9H2,1H3
InChIKeyOWHJZMUFUGAGPH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds4

About 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol

3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol (PubChem CID 79746208) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
PubChem CID79746208
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
SMILESCOCCC(O)C1CCCc2cccnc21
InChIInChI=1S/C13H19NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11-12,15H,2,4,6-7,9H2,1H3
InChIKeyOWHJZMUFUGAGPH-UHFFFAOYSA-N
XLogP1.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol with MolForge

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Related Compounds

4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 103089942
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841
3-methoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748513
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 116713188
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The IUPAC name of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol (CID 79746208) is 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol is COCCC(O)C1CCCc2cccnc21.
What is the InChIKey of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The InChIKey is OWHJZMUFUGAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-9-7-12(15)11-6-2-4-10-5-3-8-14-13(10)11/h3,5,8,11-12,15H,2,4,6-7,9H2,1H3.
What are the key properties of 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol is sourced from PubChem (CID 79746208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).