2H-cyclopenta[e][1]benzofuran-2-carboxylic acid

C12H8O3 — CID 88838512

IUPAC2H-cyclopenta[e][1]benzofuran-2-carboxylic acid
SMILESO=C(O)C1C=c2c(ccc3c2=CC=C3)O1
InChIInChI=1S/C12H8O3/c13-12(14)11-6-9-8-3-1-2-7(8)4-5-10(9)15-11/h1-6,11H,(H,13,14)
InChIKeyWZAAIPGXMLXIOD-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.12
Rot. Bonds1

About 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid

2H-cyclopenta[e][1]benzofuran-2-carboxylic acid (PubChem CID 88838512) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name2H-cyclopenta[e][1]benzofuran-2-carboxylic acid
PubChem CID88838512
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name2H-cyclopenta[e][1]benzofuran-2-carboxylic acid
SMILESO=C(O)C1C=c2c(ccc3c2=CC=C3)O1
InChIInChI=1S/C12H8O3/c13-12(14)11-6-9-8-3-1-2-7(8)4-5-10(9)15-11/h1-6,11H,(H,13,14)
InChIKeyWZAAIPGXMLXIOD-UHFFFAOYSA-N
XLogP0.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid?
The IUPAC name of 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid (CID 88838512) is 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid?
The canonical SMILES for 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid is O=C(O)C1C=c2c(ccc3c2=CC=C3)O1.
What is the InChIKey of 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid?
The InChIKey is WZAAIPGXMLXIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-12(14)11-6-9-8-3-1-2-7(8)4-5-10(9)15-11/h1-6,11H,(H,13,14).
What are the key properties of 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid?
2H-cyclopenta[e][1]benzofuran-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[e][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 88838512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).