ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate

C16H20O4 — CID 170347431

IUPACethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCC(C)C)cc12
InChIInChI=1S/C16H20O4/c1-5-18-16(17)15-11(4)20-14-7-6-12(8-13(14)15)19-9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyVEANGMPFEOEKGO-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.95
Rot. Bonds5

About ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate

ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate (PubChem CID 170347431) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
PubChem CID170347431
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCC(C)C)cc12
InChIInChI=1S/C16H20O4/c1-5-18-16(17)15-11(4)20-14-7-6-12(8-13(14)15)19-9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyVEANGMPFEOEKGO-UHFFFAOYSA-N
XLogP3.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
ethyl 5-[(2,2-difluorocyclopropyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 170347607
methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 854564
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
CID 163380072
ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 702026
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
propan-2-yl 5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 914239
propan-2-yl 5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 830055
propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 741795
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate (CID 170347431) is ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(OCC(C)C)cc12.
What is the InChIKey of ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate?
The InChIKey is VEANGMPFEOEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-18-16(17)15-11(4)20-14-7-6-12(8-13(14)15)19-9-10(2)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate?
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 170347431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).