2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid

C19H18O7 — CID 123913920

IUPAC2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
SMILESCCOc1c(OC)ccc(-c2ccc3c(c2)COC3=O)c1OCC(=O)O
InChIInChI=1S/C19H18O7/c1-3-24-18-15(23-2)7-6-13(17(18)25-10-16(20)21)11-4-5-14-12(8-11)9-26-19(14)22/h4-8H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyQGFAXLHPIJZNSB-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid

2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid (PubChem CID 123913920) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
PubChem CID123913920
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
SMILESCCOc1c(OC)ccc(-c2ccc3c(c2)COC3=O)c1OCC(=O)O
InChIInChI=1S/C19H18O7/c1-3-24-18-15(23-2)7-6-13(17(18)25-10-16(20)21)11-4-5-14-12(8-11)9-26-19(14)22/h4-8H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyQGFAXLHPIJZNSB-UHFFFAOYSA-N
XLogP2.89
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

cyclobutyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67462874
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
CID 123360585
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]ethyl propanoate
CID 67465056
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] acetate
CID 67465513
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]ethyl 3,3-dimethylbutanoate
CID 67464821
1-[1-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-ethylbutyl]cyclobutane-1-carboxylic acid
CID 123268350
propan-2-yl 3-[2-(dideuteriomethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2,2-dimethylpropanoate
CID 87410261
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] 2-(2-methoxyethoxy)acetate
CID 67465595
1-[1-[2-(dideuteriomethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid
CID 123662339
[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenyl] cyclobutanecarboxylate
CID 54578243
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] cyclopentanecarboxylate
CID 71279331

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid (CID 123913920) is 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid is CCOc1c(OC)ccc(-c2ccc3c(c2)COC3=O)c1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid?
The InChIKey is QGFAXLHPIJZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-3-24-18-15(23-2)7-6-13(17(18)25-10-16(20)21)11-4-5-14-12(8-11)9-26-19(14)22/h4-8H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid?
2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid has a molecular weight of 358.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 123913920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).