3-(4-chlorophenyl)furan-2-carboxylic acid

C11H7ClO3 — CID 43153224

IUPAC3-(4-chlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeyHQQHXNRWOJWVHF-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.30
Rot. Bonds2

About 3-(4-chlorophenyl)furan-2-carboxylic acid

3-(4-chlorophenyl)furan-2-carboxylic acid (PubChem CID 43153224) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)furan-2-carboxylic acid
PubChem CID43153224
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name3-(4-chlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeyHQQHXNRWOJWVHF-UHFFFAOYSA-N
XLogP3.30
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)furan-2-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)furan-2-carboxylic acid (CID 43153224) is 3-(4-chlorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)furan-2-carboxylic acid is O=C(O)c1occc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)furan-2-carboxylic acid?
The InChIKey is HQQHXNRWOJWVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)furan-2-carboxylic acid?
3-(4-chlorophenyl)furan-2-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).