1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one

C23H24FNO6 — CID 89466981

IUPAC1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
SMILESCCOc1ccc(F)c(-c2cc(-n3cc(O)c(=O)cc3C(C)O)c(OC)cc2OC)c1
InChIInChI=1S/C23H24FNO6/c1-5-31-14-6-7-17(24)15(8-14)16-9-19(23(30-4)11-22(16)29-3)25-12-21(28)20(27)10-18(25)13(2)26/h6-13,26,28H,5H2,1-4H3
InChIKeyANQHQNIDDFSNHA-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.82
Rot. Bonds7

About 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one

1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one (PubChem CID 89466981) has the molecular formula C23H24FNO6 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
PubChem CID89466981
Molecular FormulaC23H24FNO6
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
SMILESCCOc1ccc(F)c(-c2cc(-n3cc(O)c(=O)cc3C(C)O)c(OC)cc2OC)c1
InChIInChI=1S/C23H24FNO6/c1-5-31-14-6-7-17(24)15(8-14)16-9-19(23(30-4)11-22(16)29-3)25-12-21(28)20(27)10-18(25)13(2)26/h6-13,26,28H,5H2,1-4H3
InChIKeyANQHQNIDDFSNHA-UHFFFAOYSA-N
XLogP3.82
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one (CID 89466981) is 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one is CCOc1ccc(F)c(-c2cc(-n3cc(O)c(=O)cc3C(C)O)c(OC)cc2OC)c1.
What is the InChIKey of 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The InChIKey is ANQHQNIDDFSNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO6/c1-5-31-14-6-7-17(24)15(8-14)16-9-19(23(30-4)11-22(16)29-3)25-12-21(28)20(27)10-18(25)13(2)26/h6-13,26,28H,5H2,1-4H3.
What are the key properties of 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one has a molecular weight of 429.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethoxy-2-fluorophenyl)-2,4-dimethoxyphenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 89466981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).