3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine

C16H23NO3 — CID 121451893

IUPAC3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine
SMILESc1ccc(N2CC(OCCOC3CCCCO3)C2)cc1
InChIInChI=1S/C16H23NO3/c1-2-6-14(7-3-1)17-12-15(13-17)18-10-11-20-16-8-4-5-9-19-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyIQLVSFYCCBLPMI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.43
Rot. Bonds6

About 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine

3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine (PubChem CID 121451893) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine.

Molecular Properties

Compound Name3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine
PubChem CID121451893
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine
SMILESc1ccc(N2CC(OCCOC3CCCCO3)C2)cc1
InChIInChI=1S/C16H23NO3/c1-2-6-14(7-3-1)17-12-15(13-17)18-10-11-20-16-8-4-5-9-19-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyIQLVSFYCCBLPMI-UHFFFAOYSA-N
XLogP2.43
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
4-acetyl-3-[4-[3-[2-(oxan-2-yloxy)ethoxy]azetidin-1-yl]phenoxy]benzamide
CID 121451898
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 58495700
4-acetyl-3-[4-[3-[2-(oxan-2-yloxy)ethoxy]azetidin-1-yl]phenoxy]benzonitrile
CID 121451836
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine?
The IUPAC name of 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine (CID 121451893) is 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine.
What is the SMILES notation for 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine?
The canonical SMILES for 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine is c1ccc(N2CC(OCCOC3CCCCO3)C2)cc1.
What is the InChIKey of 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine?
The InChIKey is IQLVSFYCCBLPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-6-14(7-3-1)17-12-15(13-17)18-10-11-20-16-8-4-5-9-19-16/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine?
3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine has a molecular weight of 277.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine is sourced from PubChem (CID 121451893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).