methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate

C13H12O5 — CID 10514679

IUPACmethyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)oc2ccccc12
InChIInChI=1S/C13H12O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6H,7H2,1-2H3
InChIKeyNMOSASFSLPJHJG-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.93
Rot. Bonds3

About methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate

methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate (PubChem CID 10514679) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate
PubChem CID10514679
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Namemethyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)Cc1c(C(=O)OC)oc2ccccc12
InChIInChI=1S/C13H12O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6H,7H2,1-2H3
InChIKeyNMOSASFSLPJHJG-UHFFFAOYSA-N
XLogP1.93
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxy-2-oxoethyl)phenyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8868141
methyl 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate
CID 71851326
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
methyl 4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoate
CID 649591
methyl 2-(2-bromobenzo[e][1]benzofuran-1-yl)acetate
CID 4907957
methyl 3-[(2,2,2-trifluoroacetyl)amino]-1-benzofuran-2-carboxylate
CID 118450174
ethyl 3-[[4-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 135780549
methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
CID 52943074
3-[[(2-methoxy-2-methylpropyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103266028
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903992

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate (CID 10514679) is methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate is COC(=O)Cc1c(C(=O)OC)oc2ccccc12.
What is the InChIKey of methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate?
The InChIKey is NMOSASFSLPJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate?
methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate has a molecular weight of 248.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 10514679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).