2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol

C17H19NO2 — CID 79745977

IUPAC2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
SMILESOC(COc1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C17H19NO2/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h1-3,5,7-9,11,15-16,19H,4,6,10,12H2
InChIKeyBPVWLWBYJNDJES-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.94
Rot. Bonds4

About 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol

2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol (PubChem CID 79745977) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol.

Molecular Properties

Compound Name2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
PubChem CID79745977
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
SMILESOC(COc1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C17H19NO2/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h1-3,5,7-9,11,15-16,19H,4,6,10,12H2
InChIKeyBPVWLWBYJNDJES-UHFFFAOYSA-N
XLogP2.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79746208
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
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-ethylcyclopentyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79746219
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
oxolan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745835
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
(3-methylcyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79745215

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol?
The IUPAC name of 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol (CID 79745977) is 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol.
What is the SMILES notation for 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol?
The canonical SMILES for 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol is OC(COc1ccccc1)C1CCCc2cccnc21.
What is the InChIKey of 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol?
The InChIKey is BPVWLWBYJNDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h1-3,5,7-9,11,15-16,19H,4,6,10,12H2.
What are the key properties of 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol?
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol has a molecular weight of 269.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol is sourced from PubChem (CID 79745977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).