2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid

C19H16O6 — CID 680111

IUPAC2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C19H16O6/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyFKZWOGDCHZTJPO-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.74
Rot. Bonds6

About 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid

2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid (PubChem CID 680111) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid
PubChem CID680111
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C19H16O6/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyFKZWOGDCHZTJPO-UHFFFAOYSA-N
XLogP3.74
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid (CID 680111) is 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid is CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid?
The InChIKey is FKZWOGDCHZTJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid?
2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid has a molecular weight of 340.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]acetic acid is sourced from PubChem (CID 680111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).