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

C11H7ClO3 — CID 117223453

IUPAC4-(2-chlorophenyl)furan-3-carboxylic acid
SMILESO=C(O)c1cocc1-c1ccccc1Cl
InChIInChI=1S/C11H7ClO3/c12-10-4-2-1-3-7(10)8-5-15-6-9(8)11(13)14/h1-6H,(H,13,14)
InChIKeyJGBNTZQPCPPCCT-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.30
Rot. Bonds2

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

4-(2-chlorophenyl)furan-3-carboxylic acid (PubChem CID 117223453) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-(2-chlorophenyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)furan-3-carboxylic acid
PubChem CID117223453
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name4-(2-chlorophenyl)furan-3-carboxylic acid
SMILESO=C(O)c1cocc1-c1ccccc1Cl
InChIInChI=1S/C11H7ClO3/c12-10-4-2-1-3-7(10)8-5-15-6-9(8)11(13)14/h1-6H,(H,13,14)
InChIKeyJGBNTZQPCPPCCT-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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Related Compounds

2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
CID 4237243
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556787
3-(2-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 117222652

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)furan-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)furan-3-carboxylic acid (CID 117223453) is 4-(2-chlorophenyl)furan-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)furan-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)furan-3-carboxylic acid is O=C(O)c1cocc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)furan-3-carboxylic acid?
The InChIKey is JGBNTZQPCPPCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-10-4-2-1-3-7(10)8-5-15-6-9(8)11(13)14/h1-6H,(H,13,14).
What are the key properties of 4-(2-chlorophenyl)furan-3-carboxylic acid?
4-(2-chlorophenyl)furan-3-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 4-(2-chlorophenyl)furan-3-carboxylic acid is sourced from PubChem (CID 117223453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).