4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one

C22H20FNO5 — CID 89032993

IUPAC4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
SMILESC=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3)cc2=O)cc1OC
InChIInChI=1S/C22H20FNO5/c1-15(25)13-29-20-8-5-18(12-21(20)27-2)24-10-9-16(11-22(24)26)14-28-19-6-3-17(23)4-7-19/h3-12,25H,1,13-14H2,2H3
InChIKeyASRLGIUNJPBYJM-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.01
Rot. Bonds8

About 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one

4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one (PubChem CID 89032993) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
PubChem CID89032993
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
SMILESC=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3)cc2=O)cc1OC
InChIInChI=1S/C22H20FNO5/c1-15(25)13-29-20-8-5-18(12-21(20)27-2)24-10-9-16(11-22(24)26)14-28-19-6-3-17(23)4-7-19/h3-12,25H,1,13-14H2,2H3
InChIKeyASRLGIUNJPBYJM-UHFFFAOYSA-N
XLogP4.01
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one (CID 89032993) is 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one is C=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3)cc2=O)cc1OC.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The InChIKey is ASRLGIUNJPBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-15(25)13-29-20-8-5-18(12-21(20)27-2)24-10-9-16(11-22(24)26)14-28-19-6-3-17(23)4-7-19/h3-12,25H,1,13-14H2,2H3.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one has a molecular weight of 397.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 89032993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).