ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate

C20H22O5 — CID 165037088

IUPACethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(=O)Cc2cc(C)c(C)c(C)c2)c(C)o1
InChIInChI=1S/C20H22O5/c1-6-24-20(23)19(22)18-10-16(14(5)25-18)17(21)9-15-7-11(2)13(4)12(3)8-15/h7-8,10H,6,9H2,1-5H3
InChIKeyRXBXZUIKZRPROP-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.68
Rot. Bonds6

About ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate

ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate (PubChem CID 165037088) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate
PubChem CID165037088
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Nameethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(=O)Cc2cc(C)c(C)c(C)c2)c(C)o1
InChIInChI=1S/C20H22O5/c1-6-24-20(23)19(22)18-10-16(14(5)25-18)17(21)9-15-7-11(2)13(4)12(3)8-15/h7-8,10H,6,9H2,1-5H3
InChIKeyRXBXZUIKZRPROP-UHFFFAOYSA-N
XLogP3.68
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate with MolForge

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Related Compounds

1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
methyl 3-(2-ethoxy-2-oxoacetyl)-4,5-dimethylbenzoate
CID 117414716
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
ethyl 2-(3-hydroxy-4,5-dimethylphenyl)-2-oxoacetate
CID 117317811
ethyl 2-(2,3-dimethyl-5-methylsulfanylphenyl)-2-oxoacetate
CID 117384303
ethyl 2-oxo-2-(2,3,4-trimethylphenyl)acetate
CID 116924381
ethyl 2-(3-bromo-4,5-dimethylphenyl)-2-oxoacetate
CID 117458800
ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide
CID 167110103
ethyl 2-(2,5-dibromo-4-methylphenyl)-2-oxoacetate
CID 81473961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate (CID 165037088) is ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate is CCOC(=O)C(=O)c1cc(C(=O)Cc2cc(C)c(C)c(C)c2)c(C)o1.
What is the InChIKey of ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate?
The InChIKey is RXBXZUIKZRPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-6-24-20(23)19(22)18-10-16(14(5)25-18)17(21)9-15-7-11(2)13(4)12(3)8-15/h7-8,10H,6,9H2,1-5H3.
What are the key properties of ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate?
ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate has a molecular weight of 342.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate is sourced from PubChem (CID 165037088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).