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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Related Compounds

4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
4-methoxypyridine-3-thiolate
CID 156636966
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
CID 166436066
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol
CID 70157537
4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
CID 66835930
3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine
CID 130565735

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).