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

C13H14O4 — CID 785374

IUPACethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)17-11-6-5-9(15-3)7-10(11)12/h5-7H,4H2,1-3H3
InChIKeyJTVBUFPPKSXXJT-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.93
Rot. Bonds3

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

ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 785374) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate
PubChem CID785374
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)17-11-6-5-9(15-3)7-10(11)12/h5-7H,4H2,1-3H3
InChIKeyJTVBUFPPKSXXJT-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

Analyze ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate (CID 785374) is ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is JTVBUFPPKSXXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)17-11-6-5-9(15-3)7-10(11)12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate?
ethyl 5-methoxy-2-methyl-1-benzofuran-3-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-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 785374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).