ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate

C14H16O3 — CID 138539367

IUPACethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(C)cc2c1CC
InChIInChI=1S/C14H16O3/c1-4-10-11-8-9(3)6-7-12(11)17-13(10)14(15)16-5-2/h6-8H,4-5H2,1-3H3
InChIKeyALNYSRQKOULJLX-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.48
Rot. Bonds3

About ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate

ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate (PubChem CID 138539367) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
PubChem CID138539367
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(C)cc2c1CC
InChIInChI=1S/C14H16O3/c1-4-10-11-8-9(3)6-7-12(11)17-13(10)14(15)16-5-2/h6-8H,4-5H2,1-3H3
InChIKeyALNYSRQKOULJLX-UHFFFAOYSA-N
XLogP3.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506
(E)-1-(3-ethyl-5-methyl-1-benzofuran-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8831038
3-(carboxymethyl)-5-methyl-1-benzofuran-2-carboxylic acid
CID 82389848
ethyl 5-bromo-3-hydroxy-1-benzofuran-2-carboxylate
CID 123486915
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
(5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1R)-1-phenylethyl]azanium
CID 8897645
ethyl 5-bromo-3-[(N'-methylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 8776317
(E)-1-(3-ethyl-5-methyl-1-benzofuran-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 51431106
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 5-bromo-3-[[(2E,4E)-hexa-2,4-dienoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 7542606
ethyl 5-bromo-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1-benzofuran-2-carboxylate
CID 8899004

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate (CID 138539367) is ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(C)cc2c1CC.
What is the InChIKey of ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate?
The InChIKey is ALNYSRQKOULJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-10-11-8-9(3)6-7-12(11)17-13(10)14(15)16-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate?
ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 138539367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).