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

C22H19F2NO5 — CID 89032995

IUPAC4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
SMILESC=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3F)cc2=O)cc1OC
InChIInChI=1S/C22H19F2NO5/c1-14(26)12-29-20-6-4-17(11-21(20)28-2)25-8-7-15(9-22(25)27)13-30-19-5-3-16(23)10-18(19)24/h3-11,26H,1,12-13H2,2H3
InChIKeyWNBDIRYPWXJSDF-UHFFFAOYSA-N
MW415.39 g/mol
LogP4.15
Rot. Bonds8

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

4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one (PubChem CID 89032995) has the molecular formula C22H19F2NO5 and a molecular weight of 415.39 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
PubChem CID89032995
Molecular FormulaC22H19F2NO5
Molecular Weight415.39 g/mol
Exact Mass415.12
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
SMILESC=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3F)cc2=O)cc1OC
InChIInChI=1S/C22H19F2NO5/c1-14(26)12-29-20-6-4-17(11-21(20)28-2)25-8-7-15(9-22(25)27)13-30-19-5-3-16(23)10-18(19)24/h3-11,26H,1,12-13H2,2H3
InChIKeyWNBDIRYPWXJSDF-UHFFFAOYSA-N
XLogP4.15
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 54.15
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-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one (CID 89032995) is 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one is C=C(O)COc1ccc(-n2ccc(COc3ccc(F)cc3F)cc2=O)cc1OC.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
The InChIKey is WNBDIRYPWXJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO5/c1-14(26)12-29-20-6-4-17(11-21(20)28-2)25-8-7-15(9-22(25)27)13-30-19-5-3-16(23)10-18(19)24/h3-11,26H,1,12-13H2,2H3.
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one?
4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one has a molecular weight of 415.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 89032995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).