3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine

C17H21NO4 — CID 139935586

IUPAC3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine
SMILESCOCCOCOC(OCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21NO4/c1-19-10-11-20-14-22-17(16-8-5-9-18-12-16)21-13-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyQWSDPAXVRWMBDY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.93
Rot. Bonds10

About 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine

3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine (PubChem CID 139935586) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine
PubChem CID139935586
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine
SMILESCOCCOCOC(OCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21NO4/c1-19-10-11-20-14-22-17(16-8-5-9-18-12-16)21-13-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyQWSDPAXVRWMBDY-UHFFFAOYSA-N
XLogP2.93
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine?
The IUPAC name of 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine (CID 139935586) is 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine.
What is the SMILES notation for 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine?
The canonical SMILES for 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine is COCCOCOC(OCc1ccccc1)c1cccnc1.
What is the InChIKey of 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine?
The InChIKey is QWSDPAXVRWMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-19-10-11-20-14-22-17(16-8-5-9-18-12-16)21-13-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine?
3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine has a molecular weight of 303.36 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethoxymethoxy(phenylmethoxy)methyl]pyridine is sourced from PubChem (CID 139935586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).