[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate

C18H20O4 — CID 42984534

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H20O4/c1-10-8-15(14(5)13(4)12(10)3)16(19)9-21-18(20)17-7-6-11(2)22-17/h6-8H,9H2,1-5H3
InChIKeyYSDUCHPDCGPQQP-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.86
Rot. Bonds4

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate (PubChem CID 42984534) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
PubChem CID42984534
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H20O4/c1-10-8-15(14(5)13(4)12(10)3)16(19)9-21-18(20)17-7-6-11(2)22-17/h6-8H,9H2,1-5H3
InChIKeyYSDUCHPDCGPQQP-UHFFFAOYSA-N
XLogP3.86
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-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

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
CID 7783733
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 42979588
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
CID 18290127
[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 3495336
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate (CID 42984534) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)o1.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate?
The InChIKey is YSDUCHPDCGPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-10-8-15(14(5)13(4)12(10)3)16(19)9-21-18(20)17-7-6-11(2)22-17/h6-8H,9H2,1-5H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate has a molecular weight of 300.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 42984534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).