3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine

C18H23NO3 — CID 54187127

IUPAC3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cc(OC)c(C(C)(C)C)cc1OC
InChIInChI=1S/C18H23NO3/c1-18(2,3)14-10-16(21-5)12(9-17(14)22-6)13-11-19-8-7-15(13)20-4/h7-11H,1-6H3
InChIKeyPFVVIEBJXFFDHB-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.07
Rot. Bonds4

About 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine

3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine (PubChem CID 54187127) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine.

Molecular Properties

Compound Name3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
PubChem CID54187127
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cc(OC)c(C(C)(C)C)cc1OC
InChIInChI=1S/C18H23NO3/c1-18(2,3)14-10-16(21-5)12(9-17(14)22-6)13-11-19-8-7-15(13)20-4/h7-11H,1-6H3
InChIKeyPFVVIEBJXFFDHB-UHFFFAOYSA-N
XLogP4.07
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine?
The IUPAC name of 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine (CID 54187127) is 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine.
What is the SMILES notation for 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine?
The canonical SMILES for 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine is COc1ccncc1-c1cc(OC)c(C(C)(C)C)cc1OC.
What is the InChIKey of 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine?
The InChIKey is PFVVIEBJXFFDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2,3)14-10-16(21-5)12(9-17(14)22-6)13-11-19-8-7-15(13)20-4/h7-11H,1-6H3.
What are the key properties of 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine?
3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine has a molecular weight of 301.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine is sourced from PubChem (CID 54187127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).