3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine

C16H19NO3 — CID 72903114

IUPAC3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
SMILESCOCCOc1ccc(-c2nc(C)ccc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-12-4-9-15(19-3)16(17-12)13-5-7-14(8-6-13)20-11-10-18-2/h4-9H,10-11H2,1-3H3
InChIKeyOSHGJHCJIGEXAF-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.09
Rot. Bonds6

About 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine

3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine (PubChem CID 72903114) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine.

Molecular Properties

Compound Name3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
PubChem CID72903114
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
SMILESCOCCOc1ccc(-c2nc(C)ccc2OC)cc1
InChIInChI=1S/C16H19NO3/c1-12-4-9-15(19-3)16(17-12)13-5-7-14(8-6-13)20-11-10-18-2/h4-9H,10-11H2,1-3H3
InChIKeyOSHGJHCJIGEXAF-UHFFFAOYSA-N
XLogP3.09
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine?
The IUPAC name of 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine (CID 72903114) is 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine.
What is the SMILES notation for 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine?
The canonical SMILES for 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine is COCCOc1ccc(-c2nc(C)ccc2OC)cc1.
What is the InChIKey of 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine?
The InChIKey is OSHGJHCJIGEXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12-4-9-15(19-3)16(17-12)13-5-7-14(8-6-13)20-11-10-18-2/h4-9H,10-11H2,1-3H3.
What are the key properties of 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine?
3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine has a molecular weight of 273.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine is sourced from PubChem (CID 72903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).