ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate

C13H14O4 — CID 23074286

IUPACethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(O)ccc2o1
InChIInChI=1S/C13H14O4/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeyRINBSKDQFKPQJD-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.63
Rot. Bonds4

About ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate

ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate (PubChem CID 23074286) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
PubChem CID23074286
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(O)ccc2o1
InChIInChI=1S/C13H14O4/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeyRINBSKDQFKPQJD-UHFFFAOYSA-N
XLogP2.63
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate
CID 23074478
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
ethyl 3-(2,7-dimethyl-4-oxochromen-3-yl)propanoate;ethyl 3-(7-hydroxy-2-methyl-4-oxochromen-3-yl)propanoate;methane
CID 159885539
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
ethyl 5-hydroxy-1-benzofuran-2-carboxylate;ethyl 5-methyl-1-benzofuran-2-carboxylate;methane;tribromoborane
CID 158156070
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756
ethyl 3-(4-formyl-5-hydroxy-1,3-benzoxazol-2-yl)propanoate;ethyl 3-(5-hydroxy-1,3-benzoxazol-2-yl)propanoate;methane
CID 158954583
ethyl (3S)-3-amino-3-(2,5-dihydroxyphenyl)propanoate
CID 171220684
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate (CID 23074286) is ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate is CCOC(=O)CCc1cc2cc(O)ccc2o1.
What is the InChIKey of ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate?
The InChIKey is RINBSKDQFKPQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3.
What are the key properties of ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate?
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate has a molecular weight of 234.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate is sourced from PubChem (CID 23074286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).