2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid

C21H18FNO5 — CID 71256501

IUPAC2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
SMILESCc1cc(-c2c(OCc3ccc(F)cc3)cc[nH]c2=O)ccc1OCC(=O)O
InChIInChI=1S/C21H18FNO5/c1-13-10-15(4-7-17(13)28-12-19(24)25)20-18(8-9-23-21(20)26)27-11-14-2-5-16(22)6-3-14/h2-10H,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyDIEUBWDFTSPMRK-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.53
Rot. Bonds7

About 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid

2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid (PubChem CID 71256501) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
PubChem CID71256501
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Name2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
SMILESCc1cc(-c2c(OCc3ccc(F)cc3)cc[nH]c2=O)ccc1OCC(=O)O
InChIInChI=1S/C21H18FNO5/c1-13-10-15(4-7-17(13)28-12-19(24)25)20-18(8-9-23-21(20)26)27-11-14-2-5-16(22)6-3-14/h2-10H,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyDIEUBWDFTSPMRK-UHFFFAOYSA-N
XLogP3.53
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid (CID 71256501) is 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid is Cc1cc(-c2c(OCc3ccc(F)cc3)cc[nH]c2=O)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid?
The InChIKey is DIEUBWDFTSPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-13-10-15(4-7-17(13)28-12-19(24)25)20-18(8-9-23-21(20)26)27-11-14-2-5-16(22)6-3-14/h2-10H,11-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid?
2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid has a molecular weight of 383.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 71256501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).