4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one

C21H20FNO3 — CID 122178643

IUPAC4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccc(Cn2c(C)cc(OCc3cccc(F)c3)cc2=O)cc1
InChIInChI=1S/C21H20FNO3/c1-15-10-20(26-14-17-4-3-5-18(22)11-17)12-21(24)23(15)13-16-6-8-19(25-2)9-7-16/h3-12H,13-14H2,1-2H3
InChIKeyPZGMXMUZXABTCG-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.93
Rot. Bonds6

About 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one

4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one (PubChem CID 122178643) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
PubChem CID122178643
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccc(Cn2c(C)cc(OCc3cccc(F)c3)cc2=O)cc1
InChIInChI=1S/C21H20FNO3/c1-15-10-20(26-14-17-4-3-5-18(22)11-17)12-21(24)23(15)13-16-6-8-19(25-2)9-7-16/h3-12H,13-14H2,1-2H3
InChIKeyPZGMXMUZXABTCG-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one (CID 122178643) is 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one is COc1ccc(Cn2c(C)cc(OCc3cccc(F)c3)cc2=O)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is PZGMXMUZXABTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-15-10-20(26-14-17-4-3-5-18(22)11-17)12-21(24)23(15)13-16-6-8-19(25-2)9-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one?
4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 353.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 122178643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).