ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate

C20H20O7 — CID 67464918

IUPACethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC
InChIInChI=1S/C20H20O7/c1-4-25-17(21)11-26-18-14(7-8-16(23-2)19(18)24-3)12-5-6-15-13(9-12)10-27-20(15)22/h5-9H,4,10-11H2,1-3H3
InChIKeyAXQAHPBLYGFCAX-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.98
Rot. Bonds7

About ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate

ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate (PubChem CID 67464918) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
PubChem CID67464918
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Nameethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC
InChIInChI=1S/C20H20O7/c1-4-25-17(21)11-26-18-14(7-8-16(23-2)19(18)24-3)12-5-6-15-13(9-12)10-27-20(15)22/h5-9H,4,10-11H2,1-3H3
InChIKeyAXQAHPBLYGFCAX-UHFFFAOYSA-N
XLogP2.98
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate (CID 67464918) is ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate is CCOC(=O)COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC.
What is the InChIKey of ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate?
The InChIKey is AXQAHPBLYGFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-4-25-17(21)11-26-18-14(7-8-16(23-2)19(18)24-3)12-5-6-15-13(9-12)10-27-20(15)22/h5-9H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate?
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate has a molecular weight of 372.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate is sourced from PubChem (CID 67464918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).