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

C12H12O3 — CID 121014658

IUPACmethyl 5-ethyl-1-benzofuran-2-carboxylate
SMILESCCc1ccc2oc(C(=O)OC)cc2c1
InChIInChI=1S/C12H12O3/c1-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14-2/h4-7H,3H2,1-2H3
InChIKeyMSTHZHOAFUKHLW-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.78
Rot. Bonds2

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

methyl 5-ethyl-1-benzofuran-2-carboxylate (PubChem CID 121014658) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 5-ethyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-benzofuran-2-carboxylate
PubChem CID121014658
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namemethyl 5-ethyl-1-benzofuran-2-carboxylate
SMILESCCc1ccc2oc(C(=O)OC)cc2c1
InChIInChI=1S/C12H12O3/c1-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14-2/h4-7H,3H2,1-2H3
InChIKeyMSTHZHOAFUKHLW-UHFFFAOYSA-N
XLogP2.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 5-ethyl-1-benzofuran-2-carboxylate (CID 121014658) is methyl 5-ethyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-benzofuran-2-carboxylate is CCc1ccc2oc(C(=O)OC)cc2c1.
What is the InChIKey of methyl 5-ethyl-1-benzofuran-2-carboxylate?
The InChIKey is MSTHZHOAFUKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 5-ethyl-1-benzofuran-2-carboxylate?
methyl 5-ethyl-1-benzofuran-2-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 121014658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).