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

C11H6Cl2O3 — CID 776817

IUPAC5-(2,4-dichlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H6Cl2O3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyLYDQZIXGFBEQKT-UHFFFAOYSA-N
MW257.07 g/mol
LogP3.95
Rot. Bonds2

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

5-(2,4-dichlorophenyl)furan-2-carboxylic acid (PubChem CID 776817) has the molecular formula C11H6Cl2O3 and a molecular weight of 257.07 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)furan-2-carboxylic acid
PubChem CID776817
Molecular FormulaC11H6Cl2O3
Molecular Weight257.07 g/mol
Exact Mass255.97
IUPAC Name5-(2,4-dichlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H6Cl2O3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyLYDQZIXGFBEQKT-UHFFFAOYSA-N
XLogP3.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)furan-2-carboxylic acid (CID 776817) is 5-(2,4-dichlorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)furan-2-carboxylic acid?
The InChIKey is LYDQZIXGFBEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O3/c12-6-1-2-7(8(13)5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(2,4-dichlorophenyl)furan-2-carboxylic acid?
5-(2,4-dichlorophenyl)furan-2-carboxylic acid has a molecular weight of 257.07 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 776817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).