4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid

C11H10F2O4 — CID 2843712

IUPAC4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OCc1ccc(F)cc1F
InChIInChI=1S/C11H10F2O4/c12-8-2-1-7(9(13)5-8)6-17-11(16)4-3-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyFMYNVFUQRYHDOH-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.87
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid

4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid (PubChem CID 2843712) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid
PubChem CID2843712
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OCc1ccc(F)cc1F
InChIInChI=1S/C11H10F2O4/c12-8-2-1-7(9(13)5-8)6-17-11(16)4-3-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyFMYNVFUQRYHDOH-UHFFFAOYSA-N
XLogP1.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
(2,4-difluorophenyl)methyl 4-(thiophene-3-carbonylamino)butanoate
CID 166217693
1-O-butyl 4-O-[(2,5-difluorophenyl)methyl] butanedioate
CID 91702376
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
4-[[4-(3-carboxypropanoyloxymethyl)-2,5-dimethoxyphenyl]methoxy]-4-oxobutanoic acid
CID 14545006
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
(2,4-difluorophenyl)methyl nitrite
CID 174767305
2-[(2,4-difluorophenyl)methoxy]-N-methylacetohydrazide
CID 116845352

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid (CID 2843712) is 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid is O=C(O)CCC(=O)OCc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid?
The InChIKey is FMYNVFUQRYHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c12-8-2-1-7(9(13)5-8)6-17-11(16)4-3-10(14)15/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid?
4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid has a molecular weight of 244.19 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid is sourced from PubChem (CID 2843712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).