dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate

C13H12O5 — CID 13381524

IUPACdimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
SMILESCOC(=O)c1oc2cc(C)ccc2c1C(=O)OC
InChIInChI=1S/C13H12O5/c1-7-4-5-8-9(6-7)18-11(13(15)17-3)10(8)12(14)16-2/h4-6H,1-3H3
InChIKeyXLFOAJLQNQRJTH-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.31
Rot. Bonds2

About dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate

dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate (PubChem CID 13381524) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
PubChem CID13381524
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Namedimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
SMILESCOC(=O)c1oc2cc(C)ccc2c1C(=O)OC
InChIInChI=1S/C13H12O5/c1-7-4-5-8-9(6-7)18-11(13(15)17-3)10(8)12(14)16-2/h4-6H,1-3H3
InChIKeyXLFOAJLQNQRJTH-UHFFFAOYSA-N
XLogP2.31
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate (CID 13381524) is dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate is COC(=O)c1oc2cc(C)ccc2c1C(=O)OC.
What is the InChIKey of dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate?
The InChIKey is XLFOAJLQNQRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c1-7-4-5-8-9(6-7)18-11(13(15)17-3)10(8)12(14)16-2/h4-6H,1-3H3.
What are the key properties of dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate?
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate has a molecular weight of 248.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate is sourced from PubChem (CID 13381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).