propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

C16H18O6 — CID 854534

IUPACpropan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C16H18O6/c1-9(2)21-16(18)15-10(3)22-13-6-5-11(7-12(13)15)20-8-14(17)19-4/h5-7,9H,8H2,1-4H3
InChIKeySYKOBGGIWSMPOP-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.86
Rot. Bonds5

About propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 854534) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID854534
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namepropan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C16H18O6/c1-9(2)21-16(18)15-10(3)22-13-6-5-11(7-12(13)15)20-8-14(17)19-4/h5-7,9H,8H2,1-4H3
InChIKeySYKOBGGIWSMPOP-UHFFFAOYSA-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

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Related Compounds

propan-2-yl 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
CID 853108
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
propan-2-yl 2-methyl-5-(3-methylbut-2-enoxy)-1-benzofuran-3-carboxylate
CID 800834
methyl 2-[[3-(N-hydroxy-C-methylcarbonimidoyl)-2-methyl-1-benzofuran-5-yl]oxy]acetate
CID 91990815
propan-2-yl 5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 914239
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 854564
methyl 2-methyl-5-(trifluoromethoxy)-1-benzofuran-3-carboxylate
CID 178077306
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (CID 854534) is propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is COC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is SYKOBGGIWSMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-9(2)21-16(18)15-10(3)22-13-6-5-11(7-12(13)15)20-8-14(17)19-4/h5-7,9H,8H2,1-4H3.
What are the key properties of propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
propan-2-yl 5-(2-methoxy-2-oxoethoxy)-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 propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 854534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).