ethyl 6-methoxy-1-benzofuran-2-carboxylate

C12H12O4 — CID 11830962

IUPACethyl 6-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(OC)cc2o1
InChIInChI=1S/C12H12O4/c1-3-15-12(13)11-6-8-4-5-9(14-2)7-10(8)16-11/h4-7H,3H2,1-2H3
InChIKeyVBJGXQIHVLKHCT-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.62
Rot. Bonds3

About ethyl 6-methoxy-1-benzofuran-2-carboxylate

ethyl 6-methoxy-1-benzofuran-2-carboxylate (PubChem CID 11830962) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 6-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-1-benzofuran-2-carboxylate
PubChem CID11830962
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethyl 6-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(OC)cc2o1
InChIInChI=1S/C12H12O4/c1-3-15-12(13)11-6-8-4-5-9(14-2)7-10(8)16-11/h4-7H,3H2,1-2H3
InChIKeyVBJGXQIHVLKHCT-UHFFFAOYSA-N
XLogP2.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 6-methoxy-1-benzofuran-2-carboxylate (CID 11830962) is ethyl 6-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 6-methoxy-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2ccc(OC)cc2o1.
What is the InChIKey of ethyl 6-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is VBJGXQIHVLKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-15-12(13)11-6-8-4-5-9(14-2)7-10(8)16-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-methoxy-1-benzofuran-2-carboxylate?
ethyl 6-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 11830962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).