1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C23H22FNO4 — CID 53476377

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(OCC(O)C2CC2)cc1
InChIInChI=1S/C23H22FNO4/c24-18-5-1-16(2-6-18)14-28-21-11-12-25(23(27)13-21)19-7-9-20(10-8-19)29-15-22(26)17-3-4-17/h1-2,5-13,17,22,26H,3-4,14-15H2
InChIKeySGVFXDHRNRSPFI-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.71
Rot. Bonds8

About 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 53476377) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID53476377
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(OCC(O)C2CC2)cc1
InChIInChI=1S/C23H22FNO4/c24-18-5-1-16(2-6-18)14-28-21-11-12-25(23(27)13-21)19-7-9-20(10-8-19)29-15-22(26)17-3-4-17/h1-2,5-13,17,22,26H,3-4,14-15H2
InChIKeySGVFXDHRNRSPFI-UHFFFAOYSA-N
XLogP3.71
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 53476377) is 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(OCC(O)C2CC2)cc1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is SGVFXDHRNRSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c24-18-5-1-16(2-6-18)14-28-21-11-12-25(23(27)13-21)19-7-9-20(10-8-19)29-15-22(26)17-3-4-17/h1-2,5-13,17,22,26H,3-4,14-15H2.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 53476377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).