[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate

C19H18Cl2O3 — CID 18268152

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
SMILESCc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c(C)c1C
InChIInChI=1S/C19H18Cl2O3/c1-10-8-14(13(4)12(3)11(10)2)17(22)9-24-19(23)18-15(20)6-5-7-16(18)21/h5-8H,9H2,1-4H3
InChIKeyNMKOBJFYZMGNGN-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.27
Rot. Bonds4

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate (PubChem CID 18268152) has the molecular formula C19H18Cl2O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
PubChem CID18268152
Molecular FormulaC19H18Cl2O3
Molecular Weight365.26 g/mol
Exact Mass364.06
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
SMILESCc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c(C)c1C
InChIInChI=1S/C19H18Cl2O3/c1-10-8-14(13(4)12(3)11(10)2)17(22)9-24-19(23)18-15(20)6-5-7-16(18)21/h5-8H,9H2,1-4H3
InChIKeyNMKOBJFYZMGNGN-UHFFFAOYSA-N
XLogP5.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7604414
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
CID 7783733
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 42984534
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 3-phenylfuran-2-carboxylate
CID 18290127
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 22831050
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate (CID 18268152) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate is Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate?
The InChIKey is NMKOBJFYZMGNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O3/c1-10-8-14(13(4)12(3)11(10)2)17(22)9-24-19(23)18-15(20)6-5-7-16(18)21/h5-8H,9H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate has a molecular weight of 365.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 18268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).