ethyl 3-methoxy-1-benzofuran-2-carboxylate

C12H12O4 — CID 10922024

IUPACethyl 3-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1OC
InChIInChI=1S/C12H12O4/c1-3-15-12(13)11-10(14-2)8-6-4-5-7-9(8)16-11/h4-7H,3H2,1-2H3
InChIKeyJKZWPFQHYJYISI-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.62
Rot. Bonds3

About ethyl 3-methoxy-1-benzofuran-2-carboxylate

ethyl 3-methoxy-1-benzofuran-2-carboxylate (PubChem CID 10922024) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 3-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-1-benzofuran-2-carboxylate
PubChem CID10922024
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethyl 3-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1OC
InChIInChI=1S/C12H12O4/c1-3-15-12(13)11-10(14-2)8-6-4-5-7-9(8)16-11/h4-7H,3H2,1-2H3
InChIKeyJKZWPFQHYJYISI-UHFFFAOYSA-N
XLogP2.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
ethyl 3-nitro-1-benzofuran-2-carboxylate
CID 154251885
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate
CID 69306844
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
CID 16560398
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
ethyl dibenzofuran-1-carboxylate
CID 11858911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-methoxy-1-benzofuran-2-carboxylate (CID 10922024) is ethyl 3-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-methoxy-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1OC.
What is the InChIKey of ethyl 3-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is JKZWPFQHYJYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-15-12(13)11-10(14-2)8-6-4-5-7-9(8)16-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methoxy-1-benzofuran-2-carboxylate?
ethyl 3-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 10922024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).