2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one

C18H14FNO2 — CID 11415191

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1
InChIInChI=1S/C18H14FNO2/c1-12-10-15(21)11-18(20-12)13-2-6-16(7-3-13)22-17-8-4-14(19)5-9-17/h2-11H,1H3,(H,20,21)
InChIKeyANINGFKGCOZUER-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.28
Rot. Bonds3

About 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one

2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one (PubChem CID 11415191) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one
PubChem CID11415191
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1
InChIInChI=1S/C18H14FNO2/c1-12-10-15(21)11-18(20-12)13-2-6-16(7-3-13)22-17-8-4-14(19)5-9-17/h2-11H,1H3,(H,20,21)
InChIKeyANINGFKGCOZUER-UHFFFAOYSA-N
XLogP4.28
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one (CID 11415191) is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one?
The InChIKey is ANINGFKGCOZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-12-10-15(21)11-18(20-12)13-2-6-16(7-3-13)22-17-8-4-14(19)5-9-17/h2-11H,1H3,(H,20,21).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one?
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one has a molecular weight of 295.31 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 11415191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).