3-(3-ethyl-1-benzofuran-2-yl)butanoic acid

C14H16O3 — CID 43211333

IUPAC3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
SMILESCCc1c(C(C)CC(=O)O)oc2ccccc12
InChIInChI=1S/C14H16O3/c1-3-10-11-6-4-5-7-12(11)17-14(10)9(2)8-13(15)16/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyHYBHPVWLWAFDEL-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.57
Rot. Bonds4

About 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid

3-(3-ethyl-1-benzofuran-2-yl)butanoic acid (PubChem CID 43211333) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
PubChem CID43211333
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
SMILESCCc1c(C(C)CC(=O)O)oc2ccccc12
InChIInChI=1S/C14H16O3/c1-3-10-11-6-4-5-7-12(11)17-14(10)9(2)8-13(15)16/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyHYBHPVWLWAFDEL-UHFFFAOYSA-N
XLogP3.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346
3,4-diethylchromen-2-one
CID 11680028
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
CID 64812611
1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
1-(3-ethyl-1-benzofuran-2-yl)-3,3-dimethoxypropan-1-one
CID 115480642
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid?
The IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid (CID 43211333) is 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid.
What is the SMILES notation for 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid?
The canonical SMILES for 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid is CCc1c(C(C)CC(=O)O)oc2ccccc12.
What is the InChIKey of 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid?
The InChIKey is HYBHPVWLWAFDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-10-11-6-4-5-7-12(11)17-14(10)9(2)8-13(15)16/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid?
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-benzofuran-2-yl)butanoic acid is sourced from PubChem (CID 43211333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).