2-(5-phenyl-1-benzofuran-3-yl)acetic acid

C16H12O3 — CID 9158972

IUPAC2-(5-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
InChIKeyRNHZAGPKVYWRGU-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.73
Rot. Bonds3

About 2-(5-phenyl-1-benzofuran-3-yl)acetic acid

2-(5-phenyl-1-benzofuran-3-yl)acetic acid (PubChem CID 9158972) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(5-phenyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-phenyl-1-benzofuran-3-yl)acetic acid
PubChem CID9158972
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(5-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)Cc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
InChIKeyRNHZAGPKVYWRGU-UHFFFAOYSA-N
XLogP3.73
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(5-phenyl-1-benzofuran-3-yl)acetic acid (CID 9158972) is 2-(5-phenyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(5-phenyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(5-phenyl-1-benzofuran-3-yl)acetic acid is O=C(O)Cc1coc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 2-(5-phenyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is RNHZAGPKVYWRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18).
What are the key properties of 2-(5-phenyl-1-benzofuran-3-yl)acetic acid?
2-(5-phenyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 9158972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).