2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol

C15H21NO3 — CID 61070146

IUPAC2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C15H21NO3/c17-9-10-18-11-12-19-15-3-1-13(2-4-15)14-5-7-16-8-6-14/h1-5,16-17H,6-12H2
InChIKeyAZRVQQIZIAZZAR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol (PubChem CID 61070146) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol
PubChem CID61070146
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C15H21NO3/c17-9-10-18-11-12-19-15-3-1-13(2-4-15)14-5-7-16-8-6-14/h1-5,16-17H,6-12H2
InChIKeyAZRVQQIZIAZZAR-UHFFFAOYSA-N
XLogP1.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-(2-phenoxyethoxy)ethanol
CID 7715
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
2-[4-[[(1Z)-1-(1-aminoethylidene)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-yl]amino]phenoxy]ethanol
CID 166878212
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
CID 162335780
CID 162335780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol (CID 61070146) is 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol is OCCOCCOc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol?
The InChIKey is AZRVQQIZIAZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-9-10-18-11-12-19-15-3-1-13(2-4-15)14-5-7-16-8-6-14/h1-5,16-17H,6-12H2.
What are the key properties of 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol?
2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 61070146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).