4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one

C23H24FNO4 — CID 46911512

IUPAC4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C23H24FNO4/c1-16-12-19(8-9-21(16)29-15-23(2,3)27)25-11-10-20(13-22(25)26)28-14-17-4-6-18(24)7-5-17/h4-13,27H,14-15H2,1-3H3
InChIKeyWCMFUWBVIKILDJ-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.01
Rot. Bonds7

About 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one (PubChem CID 46911512) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one
PubChem CID46911512
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C23H24FNO4/c1-16-12-19(8-9-21(16)29-15-23(2,3)27)25-11-10-20(13-22(25)26)28-14-17-4-6-18(24)7-5-17/h4-13,27H,14-15H2,1-3H3
InChIKeyWCMFUWBVIKILDJ-UHFFFAOYSA-N
XLogP4.01
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one (CID 46911512) is 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one is Cc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one?
The InChIKey is WCMFUWBVIKILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-16-12-19(8-9-21(16)29-15-23(2,3)27)25-11-10-20(13-22(25)26)28-14-17-4-6-18(24)7-5-17/h4-13,27H,14-15H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one has a molecular weight of 397.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one is sourced from PubChem (CID 46911512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).