ethyl 7-methoxy-1-benzofuran-2-carboxylate

C12H12O4 — CID 521284

IUPACethyl 7-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3
InChIKeySXCMZYVXJUJIDJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.62
Rot. Bonds3

About ethyl 7-methoxy-1-benzofuran-2-carboxylate

ethyl 7-methoxy-1-benzofuran-2-carboxylate (PubChem CID 521284) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 7-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-1-benzofuran-2-carboxylate
PubChem CID521284
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethyl 7-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3
InChIKeySXCMZYVXJUJIDJ-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

8-Methoxypsoralen
CID 4114
Imperatorin
CID 10212
Sphondin
CID 108104
2-Benzofurancarboxaldehyde
CID 61341
8-Geranyloxypsoralen
CID 5317564
Benzofuran-2-carboxylic acid
CID 10331
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
2-Acetylbenzofuran
CID 15435
5-Methoxybenzofuran
CID 25943
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CID 2927343

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 7-methoxy-1-benzofuran-2-carboxylate (CID 521284) is ethyl 7-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 7-methoxy-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cccc(OC)c2o1.
What is the InChIKey of ethyl 7-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is SXCMZYVXJUJIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 7-methoxy-1-benzofuran-2-carboxylate?
ethyl 7-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 7-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 521284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).