(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate

C13H10O4 — CID 126566662

IUPAC(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate
SMILESCC(=O)OC1Oc2c3c(ccc2=C1O)=CC=C3
InChIInChI=1S/C13H10O4/c1-7(14)16-13-11(15)10-6-5-8-3-2-4-9(8)12(10)17-13/h2-6,13,15H,1H3
InChIKeyOFJLCQINKBJJKK-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.44
Rot. Bonds1

About (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate

(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate (PubChem CID 126566662) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate.

Molecular Properties

Compound Name(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate
PubChem CID126566662
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate
SMILESCC(=O)OC1Oc2c3c(ccc2=C1O)=CC=C3
InChIInChI=1S/C13H10O4/c1-7(14)16-13-11(15)10-6-5-8-3-2-4-9(8)12(10)17-13/h2-6,13,15H,1H3
InChIKeyOFJLCQINKBJJKK-UHFFFAOYSA-N
XLogP0.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate?
The IUPAC name of (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate (CID 126566662) is (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate.
What is the SMILES notation for (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate?
The canonical SMILES for (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate is CC(=O)OC1Oc2c3c(ccc2=C1O)=CC=C3.
What is the InChIKey of (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate?
The InChIKey is OFJLCQINKBJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-7(14)16-13-11(15)10-6-5-8-3-2-4-9(8)12(10)17-13/h2-6,13,15H,1H3.
What are the key properties of (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate?
(3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate has a molecular weight of 230.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2H-cyclopenta[g][1]benzofuran-2-yl) acetate is sourced from PubChem (CID 126566662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).