5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid

C12H9FO4 — CID 64854808

IUPAC5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid
SMILESCc1ccc(F)c(Oc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H9FO4/c1-7-2-3-8(13)10(6-7)17-11-5-4-9(16-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyLNFAHJYTUMOVJL-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.22
Rot. Bonds3

About 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid

5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid (PubChem CID 64854808) has the molecular formula C12H9FO4 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid
PubChem CID64854808
Molecular FormulaC12H9FO4
Molecular Weight236.20 g/mol
Exact Mass236.05
IUPAC Name5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid
SMILESCc1ccc(F)c(Oc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H9FO4/c1-7-2-3-8(13)10(6-7)17-11-5-4-9(16-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyLNFAHJYTUMOVJL-UHFFFAOYSA-N
XLogP3.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid (CID 64854808) is 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid is Cc1ccc(F)c(Oc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid?
The InChIKey is LNFAHJYTUMOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO4/c1-7-2-3-8(13)10(6-7)17-11-5-4-9(16-11)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid?
5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 64854808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).