5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid

C13H9FO5 — CID 24962256

IUPAC5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(OCc2cccc(F)c2)co1
InChIInChI=1S/C13H9FO5/c14-9-3-1-2-8(4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17)
InChIKeyVDCXAZJQZUIIAK-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.06
Rot. Bonds4

About 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid

5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid (PubChem CID 24962256) has the molecular formula C13H9FO5 and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid
PubChem CID24962256
Molecular FormulaC13H9FO5
Molecular Weight264.21 g/mol
Exact Mass264.04
IUPAC Name5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(OCc2cccc(F)c2)co1
InChIInChI=1S/C13H9FO5/c14-9-3-1-2-8(4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17)
InChIKeyVDCXAZJQZUIIAK-UHFFFAOYSA-N
XLogP2.06
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid (CID 24962256) is 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid is O=C(O)c1cc(=O)c(OCc2cccc(F)c2)co1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid?
The InChIKey is VDCXAZJQZUIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO5/c14-9-3-1-2-8(4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17).
What are the key properties of 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid?
5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid has a molecular weight of 264.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 24962256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).