[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C22H23FO4 — CID 7967540

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCc1cc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)c(C)c1C
InChIInChI=1S/C22H23FO4/c1-13-11-19(16(4)15(3)14(13)2)21(25)12-27-22(26)10-9-20(24)17-5-7-18(23)8-6-17/h5-8,11H,9-10,12H2,1-4H3
InChIKeyHCDSHILARURISV-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.45
Rot. Bonds7

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 7967540) has the molecular formula C22H23FO4 and a molecular weight of 370.42 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID7967540
Molecular FormulaC22H23FO4
Molecular Weight370.42 g/mol
Exact Mass370.16
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCc1cc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)c(C)c1C
InChIInChI=1S/C22H23FO4/c1-13-11-19(16(4)15(3)14(13)2)21(25)12-27-22(26)10-9-20(24)17-5-7-18(23)8-6-17/h5-8,11H,9-10,12H2,1-4H3
InChIKeyHCDSHILARURISV-UHFFFAOYSA-N
XLogP4.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764238
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764446
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 22831050
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128452
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7698746
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 34314975
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7542388

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 7967540) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is HCDSHILARURISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FO4/c1-13-11-19(16(4)15(3)14(13)2)21(25)12-27-22(26)10-9-20(24)17-5-7-18(23)8-6-17/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 370.42 g/mol, XLogP of 4.45, 7 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] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 7967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).