4-chloro-5-methyl-1-benzofuran-2-carboxylic acid

C10H7ClO3 — CID 130064961

IUPAC4-chloro-5-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2oc(C(=O)O)cc2c1Cl
InChIInChI=1S/C10H7ClO3/c1-5-2-3-7-6(9(5)11)4-8(14-7)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyWWUPFOAZRGLHBQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP3.09
Rot. Bonds1

About 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid

4-chloro-5-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 130064961) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-methyl-1-benzofuran-2-carboxylic acid
PubChem CID130064961
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name4-chloro-5-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2oc(C(=O)O)cc2c1Cl
InChIInChI=1S/C10H7ClO3/c1-5-2-3-7-6(9(5)11)4-8(14-7)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyWWUPFOAZRGLHBQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid (CID 130064961) is 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid is Cc1ccc2oc(C(=O)O)cc2c1Cl.
What is the InChIKey of 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is WWUPFOAZRGLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-5-2-3-7-6(9(5)11)4-8(14-7)10(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid?
4-chloro-5-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 130064961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).