ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C13H14O4 — CID 2307798

IUPACethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)10-7-9(15-3)5-6-11(10)17-12/h5-7H,4H2,1-3H3
InChIKeyDAETWRKPSJXAJB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.93
Rot. Bonds3

About ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2307798) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2307798
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)10-7-9(15-3)5-6-11(10)17-12/h5-7H,4H2,1-3H3
InChIKeyDAETWRKPSJXAJB-UHFFFAOYSA-N
XLogP2.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2307798) is ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is DAETWRKPSJXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)10-7-9(15-3)5-6-11(10)17-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2307798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).