1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C23H24FNO6 — CID 58580266

IUPAC1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(O)CO
InChIInChI=1S/C23H24FNO6/c1-23(28,14-26)15-31-20-8-7-18(11-21(20)29-2)25-10-9-19(12-22(25)27)30-13-16-3-5-17(24)6-4-16/h3-12,26,28H,13-15H2,1-2H3
InChIKeyFQNNOUGXLMDKOK-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.69
Rot. Bonds9

About 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 58580266) has the molecular formula C23H24FNO6 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID58580266
Molecular FormulaC23H24FNO6
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCOc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(O)CO
InChIInChI=1S/C23H24FNO6/c1-23(28,14-26)15-31-20-8-7-18(11-21(20)29-2)25-10-9-19(12-22(25)27)30-13-16-3-5-17(24)6-4-16/h3-12,26,28H,13-15H2,1-2H3
InChIKeyFQNNOUGXLMDKOK-UHFFFAOYSA-N
XLogP2.69
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one with MolForge

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one;4-[(4-fluorophenyl)methoxy]-1-[4-(3-hydroxy-3-methylbutoxy)-3-methoxyphenyl]pyridin-2-one;3-methylbutane-1,3-diol
CID 160563044
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 46911566
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
CID 46911752
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580250
1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 123190083
1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 53476377
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
CID 46911203

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 58580266) is 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is COc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(O)CO.
What is the InChIKey of 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is FQNNOUGXLMDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO6/c1-23(28,14-26)15-31-20-8-7-18(11-21(20)29-2)25-10-9-19(12-22(25)27)30-13-16-3-5-17(24)6-4-16/h3-12,26,28H,13-15H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 429.44 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 58580266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).