2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

C11H12O3 — CID 71775731

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeySTEVXIOPWLAABO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (PubChem CID 71775731) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
PubChem CID71775731
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeySTEVXIOPWLAABO-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (CID 71775731) is 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The InChIKey is STEVXIOPWLAABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 71775731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).