3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol

C22H27NO6 — CID 118948795

IUPAC3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol
SMILESOC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)COC1
InChIInChI=1S/C22H27NO6/c24-22(15-25-16-22)19-12-18(29-14-17-6-2-1-3-7-17)13-20(23-19)26-10-11-28-21-8-4-5-9-27-21/h1-3,6-7,12-13,21,24H,4-5,8-11,14-16H2
InChIKeyIRRARNIAIPDYNO-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.80
Rot. Bonds9

About 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol

3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol (PubChem CID 118948795) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol
PubChem CID118948795
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol
SMILESOC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)COC1
InChIInChI=1S/C22H27NO6/c24-22(15-25-16-22)19-12-18(29-14-17-6-2-1-3-7-17)13-20(23-19)26-10-11-28-21-8-4-5-9-27-21/h1-3,6-7,12-13,21,24H,4-5,8-11,14-16H2
InChIKeyIRRARNIAIPDYNO-UHFFFAOYSA-N
XLogP2.80
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine
CID 118948957
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-(2-phenoxyethoxy)oxane
CID 11736193
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
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268
ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
CID 66599851
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 54240973
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol?
The IUPAC name of 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol (CID 118948795) is 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol.
What is the SMILES notation for 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol?
The canonical SMILES for 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol is OC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)COC1.
What is the InChIKey of 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol?
The InChIKey is IRRARNIAIPDYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c24-22(15-25-16-22)19-12-18(29-14-17-6-2-1-3-7-17)13-20(23-19)26-10-11-28-21-8-4-5-9-27-21/h1-3,6-7,12-13,21,24H,4-5,8-11,14-16H2.
What are the key properties of 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol?
3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol has a molecular weight of 401.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol is sourced from PubChem (CID 118948795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).