2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate

C15H15O5- — CID 18351638

IUPAC2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate
SMILESC=CCc1oc2c(OCC(=O)[O-])cccc2c1CCO
InChIInChI=1S/C15H16O5/c1-2-4-12-10(7-8-16)11-5-3-6-13(15(11)20-12)19-9-14(17)18/h2-3,5-6,16H,1,4,7-9H2,(H,17,18)/p-1
InChIKeyDHWRGYWMNKOYTD-UHFFFAOYSA-M
MW275.28 g/mol
LogP0.82
Rot. Bonds7

About 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate

2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate (PubChem CID 18351638) has the molecular formula C15H15O5- and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate
PubChem CID18351638
Molecular FormulaC15H15O5-
Molecular Weight275.28 g/mol
Exact Mass275.09
IUPAC Name2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate
SMILESC=CCc1oc2c(OCC(=O)[O-])cccc2c1CCO
InChIInChI=1S/C15H16O5/c1-2-4-12-10(7-8-16)11-5-3-6-13(15(11)20-12)19-9-14(17)18/h2-3,5-6,16H,1,4,7-9H2,(H,17,18)/p-1
InChIKeyDHWRGYWMNKOYTD-UHFFFAOYSA-M
XLogP0.82
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate
CID 18351809
methyl 2-[[3-(2-hydroxyethyl)-2-[(E)-prop-1-enyl]-1-benzofuran-7-yl]oxy]acetate
CID 11266259
2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 11374965
2-[[3-(2-benzhydrylsulfanylethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 18351565
2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetate
CID 54205343
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-ol;7-methoxy-2-prop-2-enyl-1-benzofuran-3-one;methyl 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;methyl 2-(7-hydroxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate;methyl 7-methoxy-3-oxo-2-prop-2-enyl-1-benzofuran-2-carboxylate;methyl 2-(7-methoxy-2-prop-2-enyl-1-benzofuran-3-yl)acetate;methyl 2-[[3-(2-phosphanyloxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate;tritium monohydride
CID 158903809
3-(2-hydroxyethyl)-2-methyl-1-benzofuran-7-ol;methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91305588
2-[[3-[2-(3,3-diphenylpropoxy)ethyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351568
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919
2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351719
4-but-3-enoxy-3-prop-2-enylchromen-2-one
CID 11230601

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate?
The IUPAC name of 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate (CID 18351638) is 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate.
What is the SMILES notation for 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate?
The canonical SMILES for 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate is C=CCc1oc2c(OCC(=O)[O-])cccc2c1CCO.
What is the InChIKey of 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate?
The InChIKey is DHWRGYWMNKOYTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16O5/c1-2-4-12-10(7-8-16)11-5-3-6-13(15(11)20-12)19-9-14(17)18/h2-3,5-6,16H,1,4,7-9H2,(H,17,18)/p-1.
What are the key properties of 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate?
2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate has a molecular weight of 275.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate is sourced from PubChem (CID 18351638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).