ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate

C21H25NO5 — CID 66599851

IUPACethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(COC2CCCCO2)n1
InChIInChI=1S/C21H25NO5/c1-2-24-21(23)19-13-18(26-14-16-8-4-3-5-9-16)12-17(22-19)15-27-20-10-6-7-11-25-20/h3-5,8-9,12-13,20H,2,6-7,10-11,14-15H2,1H3
InChIKeyUIJPRUKXEOOQPH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.88
Rot. Bonds8

About ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate

ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate (PubChem CID 66599851) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
PubChem CID66599851
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Nameethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(COC2CCCCO2)n1
InChIInChI=1S/C21H25NO5/c1-2-24-21(23)19-13-18(26-14-16-8-4-3-5-9-16)12-17(22-19)15-27-20-10-6-7-11-25-20/h3-5,8-9,12-13,20H,2,6-7,10-11,14-15H2,1H3
InChIKeyUIJPRUKXEOOQPH-UHFFFAOYSA-N
XLogP3.88
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate (CID 66599851) is ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate is CCOC(=O)c1cc(OCc2ccccc2)cc(COC2CCCCO2)n1.
What is the InChIKey of ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate?
The InChIKey is UIJPRUKXEOOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-2-24-21(23)19-13-18(26-14-16-8-4-3-5-9-16)12-17(22-19)15-27-20-10-6-7-11-25-20/h3-5,8-9,12-13,20H,2,6-7,10-11,14-15H2,1H3.
What are the key properties of ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate?
ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate has a molecular weight of 371.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 66599851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).