ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate

C13H14O4 — CID 22734085

IUPACethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1coc2c(OC)cccc12
InChIInChI=1S/C13H14O4/c1-3-16-12(14)7-9-8-17-13-10(9)5-4-6-11(13)15-2/h4-6,8H,3,7H2,1-2H3
InChIKeyAQAPLCQZEQKKEX-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate

ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 22734085) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
PubChem CID22734085
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1coc2c(OC)cccc12
InChIInChI=1S/C13H14O4/c1-3-16-12(14)7-9-8-17-13-10(9)5-4-6-11(13)15-2/h4-6,8H,3,7H2,1-2H3
InChIKeyAQAPLCQZEQKKEX-UHFFFAOYSA-N
XLogP2.55
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one
CID 146470701
2-(7-methoxy-1-benzofuran-3-yl)ethanol
CID 22662935
(3S)-4-(7-methoxy-1-benzofuran-3-yl)-3-methylbutan-2-one
CID 146448333
2-[2,2-dimethylpropyl-[2-(7-methoxy-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 167742943
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
CID 15618729
1-[(1R,2S,4S,5S)-6-azatricyclo[3.2.1.02,4]octan-6-yl]-2-(7-methoxy-1-benzofuran-3-yl)ethanone
CID 166296473
ethyl 2-[3-methoxy-2-(2-trimethylsilylethoxymethyl)phenyl]acetate
CID 67706542
ethane;ethyl 2-[2-[[5-[3-(aminomethyl)phenyl]-7-methoxy-1-benzofuran-3-yl]methoxy]-3-methylphenyl]acetate
CID 156725141
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780
ethane;ethyl 2-[2-[[5-[3-(aminomethyl)phenyl]-7-methoxy-1-benzofuran-3-yl]methoxy]-4-methoxyphenyl]acetate
CID 156725358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate (CID 22734085) is ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate is CCOC(=O)Cc1coc2c(OC)cccc12.
What is the InChIKey of ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is AQAPLCQZEQKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-16-12(14)7-9-8-17-13-10(9)5-4-6-11(13)15-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate?
ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 22734085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).