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

C12H10O4 — CID 59788921

IUPAC2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
SMILESCC(=O)c1oc2cc(C)ccc2c1C(=O)O
InChIInChI=1S/C12H10O4/c1-6-3-4-8-9(5-6)16-11(7(2)13)10(8)12(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyUHMJEJFCOIYUSH-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.64
Rot. Bonds2

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

2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 59788921) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
PubChem CID59788921
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
SMILESCC(=O)c1oc2cc(C)ccc2c1C(=O)O
InChIInChI=1S/C12H10O4/c1-6-3-4-8-9(5-6)16-11(7(2)13)10(8)12(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyUHMJEJFCOIYUSH-UHFFFAOYSA-N
XLogP2.64
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid (CID 59788921) is 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid is CC(=O)c1oc2cc(C)ccc2c1C(=O)O.
What is the InChIKey of 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is UHMJEJFCOIYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-6-3-4-8-9(5-6)16-11(7(2)13)10(8)12(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid?
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 59788921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).