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

C10H8O3 — CID 2762940

IUPAC2-(1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccccc12
InChIInChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChIKeyQWMVFCMIUUHJDH-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.06
Rot. Bonds2

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

2-(1-benzofuran-3-yl)acetic acid (PubChem CID 2762940) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)acetic acid
PubChem CID2762940
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-(1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccccc12
InChIInChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChIKeyQWMVFCMIUUHJDH-UHFFFAOYSA-N
XLogP2.06
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(1-benzofuran-3-yl)acetic acid (CID 2762940) is 2-(1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzofuran-3-yl)acetic acid is O=C(O)Cc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)acetic acid?
The InChIKey is QWMVFCMIUUHJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12).
What are the key properties of 2-(1-benzofuran-3-yl)acetic acid?
2-(1-benzofuran-3-yl)acetic acid has a molecular weight of 176.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 2762940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).