2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol

C18H14FNO2 — CID 59191390

IUPAC2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(Oc3cccc(F)n3)c(O)c2)cc1
InChIInChI=1S/C18H14FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(21)11-14)22-18-4-2-3-17(19)20-18/h2-11,21H,1H3
InChIKeyLGOGZZGHLJYOKZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.69
Rot. Bonds3

About 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol

2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol (PubChem CID 59191390) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol
PubChem CID59191390
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(Oc3cccc(F)n3)c(O)c2)cc1
InChIInChI=1S/C18H14FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(21)11-14)22-18-4-2-3-17(19)20-18/h2-11,21H,1H3
InChIKeyLGOGZZGHLJYOKZ-UHFFFAOYSA-N
XLogP4.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.69
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-(4-methylphenyl)phenol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol (CID 59191390) is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol is Cc1ccc(-c2ccc(Oc3cccc(F)n3)c(O)c2)cc1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol?
The InChIKey is LGOGZZGHLJYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(21)11-14)22-18-4-2-3-17(19)20-18/h2-11,21H,1H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol?
2-[(6-fluoro-2-pyridinyl)oxy]-5-(4-methylphenyl)phenol has a molecular weight of 295.31 g/mol, XLogP of 4.69, 3 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-(4-methylphenyl)phenol is sourced from PubChem (CID 59191390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).