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

C16H17O7- — CID 18351809

IUPAC2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate
SMILESCC(=O)OCCc1oc2c(OCC(=O)[O-])cccc2c1CCO
InChIInChI=1S/C16H18O7/c1-10(18)21-8-6-13-11(5-7-17)12-3-2-4-14(16(12)23-13)22-9-15(19)20/h2-4,17H,5-9H2,1H3,(H,19,20)/p-1
InChIKeyHFXVIQIGPZNJGU-UHFFFAOYSA-M
MW321.31 g/mol
LogP0.20
Rot. Bonds8

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

2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate (PubChem CID 18351809) has the molecular formula C16H17O7- and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate
PubChem CID18351809
Molecular FormulaC16H17O7-
Molecular Weight321.31 g/mol
Exact Mass321.10
IUPAC Name2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate
SMILESCC(=O)OCCc1oc2c(OCC(=O)[O-])cccc2c1CCO
InChIInChI=1S/C16H18O7/c1-10(18)21-8-6-13-11(5-7-17)12-3-2-4-14(16(12)23-13)22-9-15(19)20/h2-4,17H,5-9H2,1H3,(H,19,20)/p-1
InChIKeyHFXVIQIGPZNJGU-UHFFFAOYSA-M
XLogP0.20
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(2-hydroxyethyl)-2-prop-2-enyl-1-benzofuran-7-yl]oxy]acetate
CID 18351638
2-[[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 11374965
methyl 2-[[3-(2-hydroxyethyl)-2-[(E)-prop-1-enyl]-1-benzofuran-7-yl]oxy]acetate
CID 11266259
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
2-[[3-(2-benzhydrylsulfanylethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 18351565
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
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-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-[[3-(acetamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351746
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931
2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351719

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate?
The IUPAC name of 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate (CID 18351809) is 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate.
What is the SMILES notation for 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate?
The canonical SMILES for 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate is CC(=O)OCCc1oc2c(OCC(=O)[O-])cccc2c1CCO.
What is the InChIKey of 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate?
The InChIKey is HFXVIQIGPZNJGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18O7/c1-10(18)21-8-6-13-11(5-7-17)12-3-2-4-14(16(12)23-13)22-9-15(19)20/h2-4,17H,5-9H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate?
2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate has a molecular weight of 321.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetyloxyethyl)-3-(2-hydroxyethyl)-1-benzofuran-7-yl]oxy]acetate is sourced from PubChem (CID 18351809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).