3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine

C16H17NO — CID 167495897

IUPAC3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine
SMILESC=C(C)c1ccc(Oc2ncc(C)cc2C)cc1
InChIInChI=1S/C16H17NO/c1-11(2)14-5-7-15(8-6-14)18-16-13(4)9-12(3)10-17-16/h5-10H,1H2,2-4H3
InChIKeyHOAAUECWRXIFJX-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.52
Rot. Bonds3

About 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine

3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine (PubChem CID 167495897) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine
PubChem CID167495897
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine
SMILESC=C(C)c1ccc(Oc2ncc(C)cc2C)cc1
InChIInChI=1S/C16H17NO/c1-11(2)14-5-7-15(8-6-14)18-16-13(4)9-12(3)10-17-16/h5-10H,1H2,2-4H3
InChIKeyHOAAUECWRXIFJX-UHFFFAOYSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine?
The IUPAC name of 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine (CID 167495897) is 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine.
What is the SMILES notation for 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine?
The canonical SMILES for 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine is C=C(C)c1ccc(Oc2ncc(C)cc2C)cc1.
What is the InChIKey of 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine?
The InChIKey is HOAAUECWRXIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(2)14-5-7-15(8-6-14)18-16-13(4)9-12(3)10-17-16/h5-10H,1H2,2-4H3.
What are the key properties of 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine?
3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine has a molecular weight of 239.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine is sourced from PubChem (CID 167495897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).