4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid

C10H7ClO4 — CID 83892625

IUPAC4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
SMILESCc1cc2c(Cl)cc(C(=O)O)c(O)c2o1
InChIInChI=1S/C10H7ClO4/c1-4-2-5-7(11)3-6(10(13)14)8(12)9(5)15-4/h2-3,12H,1H3,(H,13,14)
InChIKeyKCTJKUXOKUXODR-UHFFFAOYSA-N
MW226.61 g/mol
LogP2.80
Rot. Bonds1

About 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid

4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid (PubChem CID 83892625) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
PubChem CID83892625
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
SMILESCc1cc2c(Cl)cc(C(=O)O)c(O)c2o1
InChIInChI=1S/C10H7ClO4/c1-4-2-5-7(11)3-6(10(13)14)8(12)9(5)15-4/h2-3,12H,1H3,(H,13,14)
InChIKeyKCTJKUXOKUXODR-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
CID 84686462
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
2-methylfuro[3,2-c]pyridine-7-carboxylic acid
CID 178038733
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
5-chloro-2-methylfuran-3-carboxylic acid
CID 18938015
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136794336
2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid
CID 115010460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid?
The IUPAC name of 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid (CID 83892625) is 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid is Cc1cc2c(Cl)cc(C(=O)O)c(O)c2o1.
What is the InChIKey of 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid?
The InChIKey is KCTJKUXOKUXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c1-4-2-5-7(11)3-6(10(13)14)8(12)9(5)15-4/h2-3,12H,1H3,(H,13,14).
What are the key properties of 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid?
4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid has a molecular weight of 226.61 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 83892625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).