ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate

C15H16O4 — CID 11219152

IUPACethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12
InChIInChI=1S/C15H16O4/c1-4-18-14(17)8-12-11-6-5-9(2)7-13(11)19-15(12)10(3)16/h5-7H,4,8H2,1-3H3
InChIKeyAXXRVTRKHPQYSX-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate

ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 11219152) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate
PubChem CID11219152
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12
InChIInChI=1S/C15H16O4/c1-4-18-14(17)8-12-11-6-5-9(2)7-13(11)19-15(12)10(3)16/h5-7H,4,8H2,1-3H3
InChIKeyAXXRVTRKHPQYSX-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate 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 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
CID 59788921
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]acetate
CID 11609010
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfonyl]acetate
CID 11623988
ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
CID 138539367
ethyl 2-(5-amino-2-methyl-1-benzofuran-3-yl)acetate
CID 89265428
ethyl 3-(2,7-dimethyl-4-oxochromen-3-yl)propanoate;ethyl 3-(7-hydroxy-2-methyl-4-oxochromen-3-yl)propanoate;methane
CID 159885539
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate
CID 139076357
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate (CID 11219152) is ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate is CCOC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12.
What is the InChIKey of ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is AXXRVTRKHPQYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-18-14(17)8-12-11-6-5-9(2)7-13(11)19-15(12)10(3)16/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate?
ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetyl-6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 11219152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).