ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate

C18H16O6 — CID 854591

IUPACethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1
InChIInChI=1S/C18H16O6/c1-3-22-18(21)15-7-5-12(23-15)9-14(20)17-10(2)13-6-4-11(19)8-16(13)24-17/h4-8,19H,3,9H2,1-2H3
InChIKeyQLROMLCJNZEAIL-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.64
Rot. Bonds5

About ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate

ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate (PubChem CID 854591) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate
PubChem CID854591
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Nameethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1
InChIInChI=1S/C18H16O6/c1-3-22-18(21)15-7-5-12(23-15)9-14(20)17-10(2)13-6-4-11(19)8-16(13)24-17/h4-8,19H,3,9H2,1-2H3
InChIKeyQLROMLCJNZEAIL-UHFFFAOYSA-N
XLogP3.64
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate 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

ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
CID 135754072
ethyl 5-[(2Z)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
CID 135638492
tetrakis(ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylate);hydrate
CID 170907840
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
1-(5-hydroxy-3-methyl-1-benzofuran-2-yl)butan-1-one
CID 86140540
ethyl 2-(5-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072729
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 3-(5-ethoxycarbonylfuran-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
CID 5390015
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate (CID 854591) is ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate is CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1.
What is the InChIKey of ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate?
The InChIKey is QLROMLCJNZEAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-3-22-18(21)15-7-5-12(23-15)9-14(20)17-10(2)13-6-4-11(19)8-16(13)24-17/h4-8,19H,3,9H2,1-2H3.
What are the key properties of ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate?
ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate is sourced from PubChem (CID 854591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).