ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

C12H11FO4 — CID 54073356

IUPACethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(F)c(O)c2c1C
InChIInChI=1S/C12H11FO4/c1-3-16-12(15)11-6(2)9-8(17-11)5-4-7(13)10(9)14/h4-5,14H,3H2,1-2H3
InChIKeyMHZXJJHOLFHLBA-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.76
Rot. Bonds2

About ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 54073356) has the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol. Its IUPAC name is ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID54073356
Molecular FormulaC12H11FO4
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Nameethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(F)c(O)c2c1C
InChIInChI=1S/C12H11FO4/c1-3-16-12(15)11-6(2)9-8(17-11)5-4-7(13)10(9)14/h4-5,14H,3H2,1-2H3
InChIKeyMHZXJJHOLFHLBA-UHFFFAOYSA-N
XLogP2.76
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-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-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (CID 54073356) is ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(F)c(O)c2c1C.
What is the InChIKey of ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is MHZXJJHOLFHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4/c1-3-16-12(15)11-6(2)9-8(17-11)5-4-7(13)10(9)14/h4-5,14H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 238.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 54073356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).