4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine

C20H19NO3 — CID 71450079

IUPAC4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)ccn2)cc1
InChIInChI=1S/C20H19NO3/c1-14-10-18(23-3)12-19(11-14)24-17-8-9-21-20(13-17)15-4-6-16(22-2)7-5-15/h4-13H,1-3H3
InChIKeyNMOBRIDLAWFOOL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.87
Rot. Bonds5

About 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine

4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine (PubChem CID 71450079) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine
PubChem CID71450079
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)ccn2)cc1
InChIInChI=1S/C20H19NO3/c1-14-10-18(23-3)12-19(11-14)24-17-8-9-21-20(13-17)15-4-6-16(22-2)7-5-15/h4-13H,1-3H3
InChIKeyNMOBRIDLAWFOOL-UHFFFAOYSA-N
XLogP4.87
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.87
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)pyridine?
The IUPAC name of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine (CID 71450079) is 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine?
The canonical SMILES for 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine is COc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)ccn2)cc1.
What is the InChIKey of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine?
The InChIKey is NMOBRIDLAWFOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-10-18(23-3)12-19(11-14)24-17-8-9-21-20(13-17)15-4-6-16(22-2)7-5-15/h4-13H,1-3H3.
What are the key properties of 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine?
4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine has a molecular weight of 321.38 g/mol, XLogP of 4.87, 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)pyridine is sourced from PubChem (CID 71450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).