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

C11H10O3 — CID 22118702

IUPAC2-(1-benzofuran-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C11H10O3/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)
InChIKeyLTVQXCJIJREDGA-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.62
Rot. Bonds2

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

2-(1-benzofuran-2-yl)propanoic acid (PubChem CID 22118702) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)propanoic acid
PubChem CID22118702
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(1-benzofuran-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C11H10O3/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)
InChIKeyLTVQXCJIJREDGA-UHFFFAOYSA-N
XLogP2.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzofuran
CID 568
Benzarone
CID 255968
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
CID 96670
Furaprofen
CID 37801
Benzo[b]furan-2-boronic acid
CID 2776266
2-isopropyl-7H-furo[3,2-g]chromen-7-one
CID 677576
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
1-Benzofuran-3-carboxylic acid
CID 595655
Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)propanoic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)propanoic acid (CID 22118702) is 2-(1-benzofuran-2-yl)propanoic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)propanoic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)propanoic acid is CC(C(=O)O)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)propanoic acid?
The InChIKey is LTVQXCJIJREDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13).
What are the key properties of 2-(1-benzofuran-2-yl)propanoic acid?
2-(1-benzofuran-2-yl)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)propanoic acid is sourced from PubChem (CID 22118702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).