3-(4-methoxy-1-benzofuran-3-yl)butanoic acid

C13H14O4 — CID 117119216

IUPAC3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
SMILESCOc1cccc2occ(C(C)CC(=O)O)c12
InChIInChI=1S/C13H14O4/c1-8(6-12(14)15)9-7-17-11-5-3-4-10(16-2)13(9)11/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyAPOYBTIEKLUMPI-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.02
Rot. Bonds4

About 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid

3-(4-methoxy-1-benzofuran-3-yl)butanoic acid (PubChem CID 117119216) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
PubChem CID117119216
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-(4-methoxy-1-benzofuran-3-yl)butanoic acid
SMILESCOc1cccc2occ(C(C)CC(=O)O)c12
InChIInChI=1S/C13H14O4/c1-8(6-12(14)15)9-7-17-11-5-3-4-10(16-2)13(9)11/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyAPOYBTIEKLUMPI-UHFFFAOYSA-N
XLogP3.02
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
CID 117119202
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
3-(5-amino-2-methoxyphenyl)butanoic acid
CID 84676824
3-iodo-5-methoxychromen-4-one
CID 11514968
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091
4-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 82810773
3-(2-bromoethyl)-4-methoxy-1-benzofuran
CID 121364894
3-[(2-methoxyphenyl)methylsulfinyl]butanoic acid
CID 66114815

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid?
The IUPAC name of 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid (CID 117119216) is 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid.
What is the SMILES notation for 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid?
The canonical SMILES for 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid is COc1cccc2occ(C(C)CC(=O)O)c12.
What is the InChIKey of 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid?
The InChIKey is APOYBTIEKLUMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-8(6-12(14)15)9-7-17-11-5-3-4-10(16-2)13(9)11/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid?
3-(4-methoxy-1-benzofuran-3-yl)butanoic acid has a molecular weight of 234.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-benzofuran-3-yl)butanoic acid is sourced from PubChem (CID 117119216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).