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

C11H10O3 — CID 7131591

IUPAC3-(1-benzofuran-2-yl)propanoic acid
SMILESO=C(O)CCc1cc2ccccc2o1
InChIInChI=1S/C11H10O3/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
InChIKeyRSCSQNQHINMHDE-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.45
Rot. Bonds3

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

3-(1-benzofuran-2-yl)propanoic acid (PubChem CID 7131591) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)propanoic acid
PubChem CID7131591
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-(1-benzofuran-2-yl)propanoic acid
SMILESO=C(O)CCc1cc2ccccc2o1
InChIInChI=1S/C11H10O3/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
InChIKeyRSCSQNQHINMHDE-UHFFFAOYSA-N
XLogP2.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)propanoic acid?
The IUPAC name of 3-(1-benzofuran-2-yl)propanoic acid (CID 7131591) is 3-(1-benzofuran-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-benzofuran-2-yl)propanoic acid?
The canonical SMILES for 3-(1-benzofuran-2-yl)propanoic acid is O=C(O)CCc1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)propanoic acid?
The InChIKey is RSCSQNQHINMHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13).
What are the key properties of 3-(1-benzofuran-2-yl)propanoic acid?
3-(1-benzofuran-2-yl)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)propanoic acid is sourced from PubChem (CID 7131591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).