4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine

C16H17NO — CID 161008213

IUPAC4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine
SMILESCCCC1OCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C16H17NO/c1-2-4-16-14-6-3-5-13(15(14)11-18-16)12-7-9-17-10-8-12/h3,5-10,16H,2,4,11H2,1H3
InChIKeyOOTULBCZMWJGJU-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.12
Rot. Bonds3

About 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine

4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine (PubChem CID 161008213) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine
PubChem CID161008213
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine
SMILESCCCC1OCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C16H17NO/c1-2-4-16-14-6-3-5-13(15(14)11-18-16)12-7-9-17-10-8-12/h3,5-10,16H,2,4,11H2,1H3
InChIKeyOOTULBCZMWJGJU-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine?
The IUPAC name of 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine (CID 161008213) is 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine?
The canonical SMILES for 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine is CCCC1OCc2c(-c3ccncc3)cccc21.
What is the InChIKey of 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine?
The InChIKey is OOTULBCZMWJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-4-16-14-6-3-5-13(15(14)11-18-16)12-7-9-17-10-8-12/h3,5-10,16H,2,4,11H2,1H3.
What are the key properties of 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine?
4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine has a molecular weight of 239.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine is sourced from PubChem (CID 161008213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).