methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate

C16H18O6 — CID 854564

IUPACmethyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)[C@H](C)Oc1ccc2oc(C)c(C(=O)OC)c2c1
InChIInChI=1S/C16H18O6/c1-5-20-15(17)10(3)21-11-6-7-13-12(8-11)14(9(2)22-13)16(18)19-4/h6-8,10H,5H2,1-4H3/t10-/m0/s1
InChIKeyFFYHENMVSAUXCM-JTQLQIEISA-N
MW306.31 g/mol
LogP2.86
Rot. Bonds5

About methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate

methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 854564) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
PubChem CID854564
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namemethyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)[C@H](C)Oc1ccc2oc(C)c(C(=O)OC)c2c1
InChIInChI=1S/C16H18O6/c1-5-20-15(17)10(3)21-11-6-7-13-12(8-11)14(9(2)22-13)16(18)19-4/h6-8,10H,5H2,1-4H3/t10-/m0/s1
InChIKeyFFYHENMVSAUXCM-JTQLQIEISA-N
XLogP2.86
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate with MolForge

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Related Compounds

propan-2-yl 5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 914239
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
methyl 5-(4-ethoxy-4-oxobut-2-enoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 2892053
methyl 2-methyl-5-(trifluoromethoxy)-1-benzofuran-3-carboxylate
CID 178077306
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 6-bromo-5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 979397
propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 854534
propan-2-yl 6-bromo-5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 979399
propan-2-yl 5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 830055

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate (CID 854564) is methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)[C@H](C)Oc1ccc2oc(C)c(C(=O)OC)c2c1.
What is the InChIKey of methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is FFYHENMVSAUXCM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18O6/c1-5-20-15(17)10(3)21-11-6-7-13-12(8-11)14(9(2)22-13)16(18)19-4/h6-8,10H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate?
methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 854564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).