2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid

C10H8O4 — CID 589730

IUPAC2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKeyFJWKEFBYCZSVNZ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.37
Rot. Bonds2

About 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid

2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid (PubChem CID 589730) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
PubChem CID589730
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12)
InChIKeyFJWKEFBYCZSVNZ-UHFFFAOYSA-N
XLogP1.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid (CID 589730) is 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid is O=C(O)CC1OC(=O)c2ccccc21.
What is the InChIKey of 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The InChIKey is FJWKEFBYCZSVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12).
What are the key properties of 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid?
2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid is sourced from PubChem (CID 589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).