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

C17H12O5 — CID 755496

IUPAC2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-15-13(8-12)14(9-22-15)17(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyKBXOJEAZTMJGBZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.13
Rot. Bonds5

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

2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid (PubChem CID 755496) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid
PubChem CID755496
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-15-13(8-12)14(9-22-15)17(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyKBXOJEAZTMJGBZ-UHFFFAOYSA-N
XLogP3.13
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid (CID 755496) is 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid is O=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1.
What is the InChIKey of 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid?
The InChIKey is KBXOJEAZTMJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-15-13(8-12)14(9-22-15)17(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid?
2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid has a molecular weight of 296.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid is sourced from PubChem (CID 755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).