4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

C21H21NO3 — CID 71460891

IUPAC4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
SMILESCOc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2)cc1
InChIInChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
InChIKeyWAAJEIGWGSZNPQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.17
Rot. Bonds5

About 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine (PubChem CID 71460891) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine.

Molecular Properties

Compound Name4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
PubChem CID71460891
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
SMILESCOc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2)cc1
InChIInChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
InChIKeyWAAJEIGWGSZNPQ-UHFFFAOYSA-N
XLogP5.17
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine?
The IUPAC name of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine (CID 71460891) is 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine.
What is the SMILES notation for 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine?
The canonical SMILES for 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine is COc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2)cc1.
What is the InChIKey of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine?
The InChIKey is WAAJEIGWGSZNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3.
What are the key properties of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine?
4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine has a molecular weight of 335.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine is sourced from PubChem (CID 71460891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).