4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine

C15H17NO2 — CID 141379840

IUPAC4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine
SMILESCOc1cc(COc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C15H17NO2/c1-11-6-12(2)8-14(7-11)18-10-13-4-5-16-15(9-13)17-3/h4-9H,10H2,1-3H3
InChIKeyTZEZSFMCHMHKRQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.29
Rot. Bonds4

About 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine

4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine (PubChem CID 141379840) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine
PubChem CID141379840
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine
SMILESCOc1cc(COc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C15H17NO2/c1-11-6-12(2)8-14(7-11)18-10-13-4-5-16-15(9-13)17-3/h4-9H,10H2,1-3H3
InChIKeyTZEZSFMCHMHKRQ-UHFFFAOYSA-N
XLogP3.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine (CID 141379840) is 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine is COc1cc(COc2cc(C)cc(C)c2)ccn1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine?
The InChIKey is TZEZSFMCHMHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-12(2)8-14(7-11)18-10-13-4-5-16-15(9-13)17-3/h4-9H,10H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine?
4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine has a molecular weight of 243.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine is sourced from PubChem (CID 141379840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).