4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine

C21H21NO3 — CID 20583506

IUPAC4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccncc3)o2)cc1OC1CCCC1
InChIInChI=1S/C21H21NO3/c1-23-20-7-6-16(14-21(20)24-17-4-2-3-5-17)19-9-8-18(25-19)15-10-12-22-13-11-15/h6-14,17H,2-5H2,1H3
InChIKeyICJQTLVNQXGYND-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.34
Rot. Bonds5

About 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine

4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine (PubChem CID 20583506) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine
PubChem CID20583506
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccncc3)o2)cc1OC1CCCC1
InChIInChI=1S/C21H21NO3/c1-23-20-7-6-16(14-21(20)24-17-4-2-3-5-17)19-9-8-18(25-19)15-10-12-22-13-11-15/h6-14,17H,2-5H2,1H3
InChIKeyICJQTLVNQXGYND-UHFFFAOYSA-N
XLogP5.34
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine?
The IUPAC name of 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine (CID 20583506) is 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine.
What is the SMILES notation for 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine?
The canonical SMILES for 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine is COc1ccc(-c2ccc(-c3ccncc3)o2)cc1OC1CCCC1.
What is the InChIKey of 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine?
The InChIKey is ICJQTLVNQXGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-20-7-6-16(14-21(20)24-17-4-2-3-5-17)19-9-8-18(25-19)15-10-12-22-13-11-15/h6-14,17H,2-5H2,1H3.
What are the key properties of 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine?
4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine has a molecular weight of 335.40 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine is sourced from PubChem (CID 20583506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).