2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine

C18H23NO — CID 132851344

IUPAC2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine
SMILESCCOc1cc(C(C)(C)C)ccc1-c1ncccc1C
InChIInChI=1S/C18H23NO/c1-6-20-16-12-14(18(3,4)5)9-10-15(16)17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3
InChIKeyIXKAKURTOZKNBG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.75
Rot. Bonds3

About 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine

2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine (PubChem CID 132851344) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine
PubChem CID132851344
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine
SMILESCCOc1cc(C(C)(C)C)ccc1-c1ncccc1C
InChIInChI=1S/C18H23NO/c1-6-20-16-12-14(18(3,4)5)9-10-15(16)17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3
InChIKeyIXKAKURTOZKNBG-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine?
The IUPAC name of 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine (CID 132851344) is 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine.
What is the SMILES notation for 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine?
The canonical SMILES for 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine is CCOc1cc(C(C)(C)C)ccc1-c1ncccc1C.
What is the InChIKey of 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine?
The InChIKey is IXKAKURTOZKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-6-20-16-12-14(18(3,4)5)9-10-15(16)17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine?
2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine has a molecular weight of 269.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine is sourced from PubChem (CID 132851344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).