ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate

C15H16O6 — CID 117471886

IUPACethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c2c(c(OC)c3c1OCC3)OCC2
InChIInChI=1S/C15H16O6/c1-3-19-15(17)11(16)10-8-4-6-21-14(8)13(18-2)9-5-7-20-12(9)10/h3-7H2,1-2H3
InChIKeyGXOWLGDOHHFAMW-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate

ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate (PubChem CID 117471886) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
PubChem CID117471886
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c2c(c(OC)c3c1OCC3)OCC2
InChIInChI=1S/C15H16O6/c1-3-19-15(17)11(16)10-8-4-6-21-14(8)13(18-2)9-5-7-20-12(9)10/h3-7H2,1-2H3
InChIKeyGXOWLGDOHHFAMW-UHFFFAOYSA-N
XLogP1.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
CID 117373298
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
CID 117380937
8-(isocyanatomethyl)-4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 117369779
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetate
CID 117383240
ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate
CID 117409582
ethyl 2-(6-chloro-8-formyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetate
CID 117481047
ethyl 2-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-2-oxoacetate
CID 117404166
1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
CID 117442560
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 117370347
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
ethyl 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-2-oxoacetate
CID 117462242

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate (CID 117471886) is ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate is CCOC(=O)C(=O)c1c2c(c(OC)c3c1OCC3)OCC2.
What is the InChIKey of ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate?
The InChIKey is GXOWLGDOHHFAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-3-19-15(17)11(16)10-8-4-6-21-14(8)13(18-2)9-5-7-20-12(9)10/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate?
ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate has a molecular weight of 292.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate is sourced from PubChem (CID 117471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).