[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate

C23H20O4 — CID 2926237

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H20O4/c1-16-12-14-17(15-13-16)21(24)22(18-8-4-3-5-9-18)27-23(25)19-10-6-7-11-20(19)26-2/h3-15,22H,1-2H3
InChIKeyJYYPMLDTBYAVCH-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.78
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate (PubChem CID 2926237) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
PubChem CID2926237
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC(C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H20O4/c1-16-12-14-17(15-13-16)21(24)22(18-8-4-3-5-9-18)27-23(25)19-10-6-7-11-20(19)26-2/h3-15,22H,1-2H3
InChIKeyJYYPMLDTBYAVCH-UHFFFAOYSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 7873233
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2347509
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methylbenzoyl)benzoate
CID 3518860
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[1,2-bis(4-methylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518348
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(4-methylphenoxy)methyl]benzoate
CID 126185857
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate (CID 2926237) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OC(C(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The InChIKey is JYYPMLDTBYAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-16-12-14-17(15-13-16)21(24)22(18-8-4-3-5-9-18)27-23(25)19-10-6-7-11-20(19)26-2/h3-15,22H,1-2H3.
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate has a molecular weight of 360.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate is sourced from PubChem (CID 2926237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).