1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one

C24H23F4NO5 — CID 46911203

IUPAC1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C24H23F4NO5/c1-23(2,31)14-33-19-9-6-17(13-20(19)32-3)29-11-10-16(12-21(29)30)15-4-7-18(8-5-15)34-24(27,28)22(25)26/h4-13,22,31H,14H2,1-3H3
InChIKeyKUUJVOYIBKPZTG-UHFFFAOYSA-N
MW481.44 g/mol
LogP4.90
Rot. Bonds9

About 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one

1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one (PubChem CID 46911203) has the molecular formula C24H23F4NO5 and a molecular weight of 481.44 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
PubChem CID46911203
Molecular FormulaC24H23F4NO5
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C24H23F4NO5/c1-23(2,31)14-33-19-9-6-17(13-20(19)32-3)29-11-10-16(12-21(29)30)15-4-7-18(8-5-15)34-24(27,28)22(25)26/h4-13,22,31H,14H2,1-3H3
InChIKeyKUUJVOYIBKPZTG-UHFFFAOYSA-N
XLogP4.90
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one (CID 46911203) is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one is COc1cc(-n2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one?
The InChIKey is KUUJVOYIBKPZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4NO5/c1-23(2,31)14-33-19-9-6-17(13-20(19)32-3)29-11-10-16(12-21(29)30)15-4-7-18(8-5-15)34-24(27,28)22(25)26/h4-13,22,31H,14H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one?
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one has a molecular weight of 481.44 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 46911203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).