methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate

C15H18O4 — CID 67484700

IUPACmethyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1cc(OCC(C)C)c2cc(C)oc2c1
InChIInChI=1S/C15H18O4/c1-9(2)8-18-13-6-11(15(16)17-4)7-14-12(13)5-10(3)19-14/h5-7,9H,8H2,1-4H3
InChIKeyLCVGGIICXNWRCP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.56
Rot. Bonds4

About methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate

methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate (PubChem CID 67484700) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate
PubChem CID67484700
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namemethyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1cc(OCC(C)C)c2cc(C)oc2c1
InChIInChI=1S/C15H18O4/c1-9(2)8-18-13-6-11(15(16)17-4)7-14-12(13)5-10(3)19-14/h5-7,9H,8H2,1-4H3
InChIKeyLCVGGIICXNWRCP-UHFFFAOYSA-N
XLogP3.56
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate?
The IUPAC name of methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate (CID 67484700) is methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate is COC(=O)c1cc(OCC(C)C)c2cc(C)oc2c1.
What is the InChIKey of methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate?
The InChIKey is LCVGGIICXNWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9(2)8-18-13-6-11(15(16)17-4)7-14-12(13)5-10(3)19-14/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate?
methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate is sourced from PubChem (CID 67484700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).