2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid

C20H20O5 — CID 58047621

IUPAC2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
SMILESCCOc1ccc(COc2ccc3c(C(C)C(=O)O)coc3c2)cc1
InChIInChI=1S/C20H20O5/c1-3-23-15-6-4-14(5-7-15)11-24-16-8-9-17-18(13(2)20(21)22)12-25-19(17)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22)
InChIKeyTUACBYKJKUSTLQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.60
Rot. Bonds7

About 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid

2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid (PubChem CID 58047621) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
PubChem CID58047621
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
SMILESCCOc1ccc(COc2ccc3c(C(C)C(=O)O)coc3c2)cc1
InChIInChI=1S/C20H20O5/c1-3-23-15-6-4-14(5-7-15)11-24-16-8-9-17-18(13(2)20(21)22)12-25-19(17)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22)
InChIKeyTUACBYKJKUSTLQ-UHFFFAOYSA-N
XLogP4.60
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide
CID 58047674
3-(1-azidoethyl)-6-[(4-ethoxyphenoxy)methyl]-1-benzofuran
CID 58047188
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
tert-butyl-[1-[6-[(4-ethoxyphenoxy)methyl]-1-benzofuran-2-yl]ethyl]carbamic acid
CID 67015833
N-hydroxy-4-[(4-oxo-3-phenylchromen-7-yl)oxymethyl]benzeneamine oxide
CID 163174518
(4-ethoxyphenyl)methyl 2-methylbutanoate
CID 146892900

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid?
The IUPAC name of 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid (CID 58047621) is 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid.
What is the SMILES notation for 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid?
The canonical SMILES for 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid is CCOc1ccc(COc2ccc3c(C(C)C(=O)O)coc3c2)cc1.
What is the InChIKey of 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid?
The InChIKey is TUACBYKJKUSTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-23-15-6-4-14(5-7-15)11-24-16-8-9-17-18(13(2)20(21)22)12-25-19(17)10-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid?
2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid is sourced from PubChem (CID 58047621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).