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

C11H12O3 — CID 2815405

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
InChIKeyDPQFYUVHQLRVGR-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.64
Rot. Bonds3

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

3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (PubChem CID 2815405) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
PubChem CID2815405
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
InChIKeyDPQFYUVHQLRVGR-UHFFFAOYSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (CID 2815405) is 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is O=C(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The InChIKey is DPQFYUVHQLRVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 2815405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).