ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate

C12H11FO4 — CID 134180527

IUPACethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(F)cc2o1
InChIInChI=1S/C12H11FO4/c1-3-16-12(14)11-5-7-4-10(15-2)8(13)6-9(7)17-11/h4-6H,3H2,1-2H3
InChIKeyXSHHOUSFBBBMRY-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.76
Rot. Bonds3

About ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate

ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate (PubChem CID 134180527) has the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol. Its IUPAC name is ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
PubChem CID134180527
Molecular FormulaC12H11FO4
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Nameethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(F)cc2o1
InChIInChI=1S/C12H11FO4/c1-3-16-12(14)11-5-7-4-10(15-2)8(13)6-9(7)17-11/h4-6H,3H2,1-2H3
InChIKeyXSHHOUSFBBBMRY-UHFFFAOYSA-N
XLogP2.76
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
5-Methoxybenzofuran
CID 25943
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
2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester
CID 521283
Ketone, 3-benzoylbenzofuran-5-yl hydroperoxymethyl
CID 755496
2-(6-Methyl-1-benzofuran-3-yl)acetic acid
CID 877801
2-{8-Oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yloxy}acetic acid
CID 2106580
1-(7-Ethoxy-1-benzofuran-2-yl)ethan-1-one
CID 3868801
Bis(5-methoxybenzo[b]furan-2-yl)methanone
CID 13454368
Bis(5-acetoxybenzo[b]furan-2-yl)methanone
CID 13471348
Ethyl 4-(acetyloxy)-3-methyl-1-benzofuran-2-carboxylate
CID 790878

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate (CID 134180527) is ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(OC)c(F)cc2o1.
What is the InChIKey of ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is XSHHOUSFBBBMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4/c1-3-16-12(14)11-5-7-4-10(15-2)8(13)6-9(7)17-11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate?
ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 238.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 134180527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).