5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid

C13H9ClO4 — CID 106946683

IUPAC5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C13H9ClO4/c14-9-4-2-1-3-8(9)7-10(15)11-5-6-12(18-11)13(16)17/h1-6H,7H2,(H,16,17)
InChIKeyFAGSYITWTCAWIG-UHFFFAOYSA-N
MW264.66 g/mol
LogP3.06
Rot. Bonds4

About 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid

5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid (PubChem CID 106946683) has the molecular formula C13H9ClO4 and a molecular weight of 264.66 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid
PubChem CID106946683
Molecular FormulaC13H9ClO4
Molecular Weight264.66 g/mol
Exact Mass264.02
IUPAC Name5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C13H9ClO4/c14-9-4-2-1-3-8(9)7-10(15)11-5-6-12(18-11)13(16)17/h1-6H,7H2,(H,16,17)
InChIKeyFAGSYITWTCAWIG-UHFFFAOYSA-N
XLogP3.06
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
CID 106687651
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic acid
CID 4516597
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid (CID 106946683) is 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid?
The InChIKey is FAGSYITWTCAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO4/c14-9-4-2-1-3-8(9)7-10(15)11-5-6-12(18-11)13(16)17/h1-6H,7H2,(H,16,17).
What are the key properties of 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid?
5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid has a molecular weight of 264.66 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid is sourced from PubChem (CID 106946683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).