ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate

C12H14O5 — CID 63097126

IUPACethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)OCC2O
InChIInChI=1S/C12H14O5/c1-2-15-12(14)7-16-8-3-4-9-10(13)6-17-11(9)5-8/h3-5,10,13H,2,6-7H2,1H3
InChIKeyAFJSVEOSWZDNNN-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.05
Rot. Bonds4

About ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate

ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate (PubChem CID 63097126) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
PubChem CID63097126
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)OCC2O
InChIInChI=1S/C12H14O5/c1-2-15-12(14)7-16-8-3-4-9-10(13)6-17-11(9)5-8/h3-5,10,13H,2,6-7H2,1H3
InChIKeyAFJSVEOSWZDNNN-UHFFFAOYSA-N
XLogP1.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
CID 63096969
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
CID 63095489
N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 96528515
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 95973166
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate (CID 63097126) is ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate is CCOC(=O)COc1ccc2c(c1)OCC2O.
What is the InChIKey of ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate?
The InChIKey is AFJSVEOSWZDNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-2-15-12(14)7-16-8-3-4-9-10(13)6-17-11(9)5-8/h3-5,10,13H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate?
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate has a molecular weight of 238.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate is sourced from PubChem (CID 63097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).