2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine

C17H21NO — CID 121384515

IUPAC2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cnc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-12-10-16(17(2,3)4)18-11-15(12)13-6-8-14(19-5)9-7-13/h6-11H,1-5H3
InChIKeyUDSUECPOJGYGTL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.36
Rot. Bonds2

About 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine

2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine (PubChem CID 121384515) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine
PubChem CID121384515
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cnc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-12-10-16(17(2,3)4)18-11-15(12)13-6-8-14(19-5)9-7-13/h6-11H,1-5H3
InChIKeyUDSUECPOJGYGTL-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine?
The IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine (CID 121384515) is 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine.
What is the SMILES notation for 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine?
The canonical SMILES for 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine is COc1ccc(-c2cnc(C(C)(C)C)cc2C)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine?
The InChIKey is UDSUECPOJGYGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-10-16(17(2,3)4)18-11-15(12)13-6-8-14(19-5)9-7-13/h6-11H,1-5H3.
What are the key properties of 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine?
2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine has a molecular weight of 255.36 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine is sourced from PubChem (CID 121384515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).