2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol

C14H14FNO2 — CID 59191211

IUPAC2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol
SMILESCCCc1ccc(Oc2cccc(F)n2)c(O)c1
InChIInChI=1S/C14H14FNO2/c1-2-4-10-7-8-12(11(17)9-10)18-14-6-3-5-13(15)16-14/h3,5-9,17H,2,4H2,1H3
InChIKeyAWZKYZSRHHWFEZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.67
Rot. Bonds4

About 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol

2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol (PubChem CID 59191211) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol
PubChem CID59191211
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol
SMILESCCCc1ccc(Oc2cccc(F)n2)c(O)c1
InChIInChI=1S/C14H14FNO2/c1-2-4-10-7-8-12(11(17)9-10)18-14-6-3-5-13(15)16-14/h3,5-9,17H,2,4H2,1H3
InChIKeyAWZKYZSRHHWFEZ-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol (CID 59191211) is 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol is CCCc1ccc(Oc2cccc(F)n2)c(O)c1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol?
The InChIKey is AWZKYZSRHHWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-4-10-7-8-12(11(17)9-10)18-14-6-3-5-13(15)16-14/h3,5-9,17H,2,4H2,1H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol?
2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol has a molecular weight of 247.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)oxy]-5-propylphenol is sourced from PubChem (CID 59191211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).