6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid

C10H8O4 — CID 22143529

IUPAC6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2cc(O)ccc2c1C(=O)O
InChIInChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)
InChIKeyJVELFLPOFDICQP-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.15
Rot. Bonds1

About 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid

6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 22143529) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID22143529
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2cc(O)ccc2c1C(=O)O
InChIInChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)
InChIKeyJVELFLPOFDICQP-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid (CID 22143529) is 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid is Cc1oc2cc(O)ccc2c1C(=O)O.
What is the InChIKey of 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is JVELFLPOFDICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13).
What are the key properties of 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid?
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 22143529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).