4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid

C11H11FO6 — CID 150795709

IUPAC4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C11H11FO6/c12-7-4-2-1-3-6(7)5-18-11(17)9(14)8(13)10(15)16/h1-4,8-9,13-14H,5H2,(H,15,16)
InChIKeyKEUIIPXUARYKPV-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.32
Rot. Bonds5

About 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid

4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 150795709) has the molecular formula C11H11FO6 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID150795709
Molecular FormulaC11H11FO6
Molecular Weight258.20 g/mol
Exact Mass258.05
IUPAC Name4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C11H11FO6/c12-7-4-2-1-3-6(7)5-18-11(17)9(14)8(13)10(15)16/h1-4,8-9,13-14H,5H2,(H,15,16)
InChIKeyKEUIIPXUARYKPV-UHFFFAOYSA-N
XLogP-0.32
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
CID 63933223
(2-fluorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909728
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid (CID 150795709) is 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid is O=C(O)C(O)C(O)C(=O)OCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is KEUIIPXUARYKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO6/c12-7-4-2-1-3-6(7)5-18-11(17)9(14)8(13)10(15)16/h1-4,8-9,13-14H,5H2,(H,15,16).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid?
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 258.20 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 150795709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).