5-(2,4-dichlorophenoxy)furan-2-carboxylic acid

C11H6Cl2O4 — CID 2818523

IUPAC5-(2,4-dichlorophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H6Cl2O4/c12-6-1-2-8(7(13)5-6)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15)
InChIKeyKWUYUNKECNFXTP-UHFFFAOYSA-N
MW273.07 g/mol
LogP4.08
Rot. Bonds3

About 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid

5-(2,4-dichlorophenoxy)furan-2-carboxylic acid (PubChem CID 2818523) has the molecular formula C11H6Cl2O4 and a molecular weight of 273.07 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)furan-2-carboxylic acid
PubChem CID2818523
Molecular FormulaC11H6Cl2O4
Molecular Weight273.07 g/mol
Exact Mass271.96
IUPAC Name5-(2,4-dichlorophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H6Cl2O4/c12-6-1-2-8(7(13)5-6)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15)
InChIKeyKWUYUNKECNFXTP-UHFFFAOYSA-N
XLogP4.08
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid (CID 2818523) is 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid?
The InChIKey is KWUYUNKECNFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O4/c12-6-1-2-8(7(13)5-6)16-10-4-3-9(17-10)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid?
5-(2,4-dichlorophenoxy)furan-2-carboxylic acid has a molecular weight of 273.07 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 2818523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).