5-chloro-3-methyl-1-benzofuran-2-carboxylic acid

C10H7ClO3 — CID 865778

IUPAC5-chloro-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyQEYMIQBZTUQKAC-UHFFFAOYSA-N
MW210.62 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid

5-chloro-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 865778) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID865778
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name5-chloro-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyQEYMIQBZTUQKAC-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

Analyze 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid (CID 865778) is 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is QEYMIQBZTUQKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid?
5-chloro-3-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 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 865778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).