4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine

C21H21NO — CID 46901440

IUPAC4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine
SMILESCCC(c1ccncc1)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO/c1-3-21(19-12-14-22-15-13-19)18-6-4-16(5-7-18)17-8-10-20(23-2)11-9-17/h4-15,21H,3H2,1-2H3
InChIKeyDURIQWOMVBEIPW-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.30
Rot. Bonds5

About 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine

4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine (PubChem CID 46901440) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine.

Molecular Properties

Compound Name4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine
PubChem CID46901440
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine
SMILESCCC(c1ccncc1)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO/c1-3-21(19-12-14-22-15-13-19)18-6-4-16(5-7-18)17-8-10-20(23-2)11-9-17/h4-15,21H,3H2,1-2H3
InChIKeyDURIQWOMVBEIPW-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine?
The IUPAC name of 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine (CID 46901440) is 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine.
What is the SMILES notation for 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine?
The canonical SMILES for 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine is CCC(c1ccncc1)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine?
The InChIKey is DURIQWOMVBEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-21(19-12-14-22-15-13-19)18-6-4-16(5-7-18)17-8-10-20(23-2)11-9-17/h4-15,21H,3H2,1-2H3.
What are the key properties of 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine?
4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine has a molecular weight of 303.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-methoxyphenyl)phenyl]propyl]pyridine is sourced from PubChem (CID 46901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).