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

C23H22O4 — CID 18290127

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2occc2-c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C23H22O4/c1-14-12-20(17(4)16(3)15(14)2)21(24)13-27-23(25)22-19(10-11-26-22)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3
InChIKeySGNUCFGVXWIPGA-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.22
Rot. Bonds5

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

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate (PubChem CID 18290127) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
PubChem CID18290127
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2occc2-c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C23H22O4/c1-14-12-20(17(4)16(3)15(14)2)21(24)13-27-23(25)22-19(10-11-26-22)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3
InChIKeySGNUCFGVXWIPGA-UHFFFAOYSA-N
XLogP5.22
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 42984534
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[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] pyridine-4-carboxylate
CID 7783733
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate
CID 16619917
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate (CID 18290127) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate is Cc1cc(C(=O)COC(=O)c2occc2-c2ccccc2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate?
The InChIKey is SGNUCFGVXWIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-14-12-20(17(4)16(3)15(14)2)21(24)13-27-23(25)22-19(10-11-26-22)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 5.22, 5 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] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 18290127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).