ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

C14H16O5 — CID 19861186

IUPACethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cc(OCC)cc(O)c2c1C
InChIInChI=1S/C14H16O5/c1-4-17-9-6-10(15)12-8(3)13(14(16)18-5-2)19-11(12)7-9/h6-7,15H,4-5H2,1-3H3
InChIKeyUOYOYFHWLCUUHS-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.02
Rot. Bonds4

About ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 19861186) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID19861186
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cc(OCC)cc(O)c2c1C
InChIInChI=1S/C14H16O5/c1-4-17-9-6-10(15)12-8(3)13(14(16)18-5-2)19-11(12)7-9/h6-7,15H,4-5H2,1-3H3
InChIKeyUOYOYFHWLCUUHS-UHFFFAOYSA-N
XLogP3.02
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 54073356
ethyl 5,7-dibromo-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 10948842
ethyl 6-chloro-5-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 148546105
ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
CID 5380187
ethyl 4-ethynyl-3-methyl-1-benzofuran-2-carboxylate
CID 86058915
(4-cyanophenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4542800
ethyl 4,5,7-trihydroxy-2-oxochromene-6-carboxylate
CID 71350381
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 5-bromo-3-hydroxy-1-benzofuran-2-carboxylate
CID 123486915
ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate
CID 68714707
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
CID 68711986
ethyl 4-(3-hydroxyprop-1-ynyl)-3-methyl-1-benzofuran-2-carboxylate
CID 68715077

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (CID 19861186) is ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2cc(OCC)cc(O)c2c1C.
What is the InChIKey of ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is UOYOYFHWLCUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-17-9-6-10(15)12-8(3)13(14(16)18-5-2)19-11(12)7-9/h6-7,15H,4-5H2,1-3H3.
What are the key properties of ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 19861186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).