3-(4-methoxyphenyl)-5-propan-2-ylpyridine

C15H17NO — CID 59144720

IUPAC3-(4-methoxyphenyl)-5-propan-2-ylpyridine
SMILESCOc1ccc(-c2cncc(C(C)C)c2)cc1
InChIInChI=1S/C15H17NO/c1-11(2)13-8-14(10-16-9-13)12-4-6-15(17-3)7-5-12/h4-11H,1-3H3
InChIKeyBKIYOVOJOBDEPY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.88
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-propan-2-ylpyridine

3-(4-methoxyphenyl)-5-propan-2-ylpyridine (PubChem CID 59144720) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-propan-2-ylpyridine
PubChem CID59144720
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(4-methoxyphenyl)-5-propan-2-ylpyridine
SMILESCOc1ccc(-c2cncc(C(C)C)c2)cc1
InChIInChI=1S/C15H17NO/c1-11(2)13-8-14(10-16-9-13)12-4-6-15(17-3)7-5-12/h4-11H,1-3H3
InChIKeyBKIYOVOJOBDEPY-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-ylpyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-propan-2-ylpyridine (CID 59144720) is 3-(4-methoxyphenyl)-5-propan-2-ylpyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-propan-2-ylpyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-propan-2-ylpyridine is COc1ccc(-c2cncc(C(C)C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-propan-2-ylpyridine?
The InChIKey is BKIYOVOJOBDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(2)13-8-14(10-16-9-13)12-4-6-15(17-3)7-5-12/h4-11H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5-propan-2-ylpyridine?
3-(4-methoxyphenyl)-5-propan-2-ylpyridine has a molecular weight of 227.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-propan-2-ylpyridine is sourced from PubChem (CID 59144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).