3-(5-methoxy-1-benzofuran-3-yl)propanoate

C12H11O4- — CID 6921490

IUPAC3-(5-methoxy-1-benzofuran-3-yl)propanoate
SMILESCOc1ccc2occ(CCC(=O)[O-])c2c1
InChIInChI=1S/C12H12O4/c1-15-9-3-4-11-10(6-9)8(7-16-11)2-5-12(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)/p-1
InChIKeyVZPMUJFKNXHPCE-UHFFFAOYSA-M
MW219.22 g/mol
LogP1.12
Rot. Bonds4

About 3-(5-methoxy-1-benzofuran-3-yl)propanoate

3-(5-methoxy-1-benzofuran-3-yl)propanoate (PubChem CID 6921490) has the molecular formula C12H11O4- and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(5-methoxy-1-benzofuran-3-yl)propanoate.

Molecular Properties

Compound Name3-(5-methoxy-1-benzofuran-3-yl)propanoate
PubChem CID6921490
Molecular FormulaC12H11O4-
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name3-(5-methoxy-1-benzofuran-3-yl)propanoate
SMILESCOc1ccc2occ(CCC(=O)[O-])c2c1
InChIInChI=1S/C12H12O4/c1-15-9-3-4-11-10(6-9)8(7-16-11)2-5-12(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)/p-1
InChIKeyVZPMUJFKNXHPCE-UHFFFAOYSA-M
XLogP1.12
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 167531222
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
3-(5-methoxy-1-benzofuran-3-yl)propan-1-ol;4-methylbenzenesulfonic acid
CID 86752741
N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860866
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
CID 14844842

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-benzofuran-3-yl)propanoate?
The IUPAC name of 3-(5-methoxy-1-benzofuran-3-yl)propanoate (CID 6921490) is 3-(5-methoxy-1-benzofuran-3-yl)propanoate.
What is the SMILES notation for 3-(5-methoxy-1-benzofuran-3-yl)propanoate?
The canonical SMILES for 3-(5-methoxy-1-benzofuran-3-yl)propanoate is COc1ccc2occ(CCC(=O)[O-])c2c1.
What is the InChIKey of 3-(5-methoxy-1-benzofuran-3-yl)propanoate?
The InChIKey is VZPMUJFKNXHPCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12O4/c1-15-9-3-4-11-10(6-9)8(7-16-11)2-5-12(13)14/h3-4,6-7H,2,5H2,1H3,(H,13,14)/p-1.
What are the key properties of 3-(5-methoxy-1-benzofuran-3-yl)propanoate?
3-(5-methoxy-1-benzofuran-3-yl)propanoate has a molecular weight of 219.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-benzofuran-3-yl)propanoate is sourced from PubChem (CID 6921490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).