[2-(4-methylphenyl)-2-oxoethyl] acetate

C11H12O3 — CID 5151332

IUPAC[2-(4-methylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
InChIKeyGMGKFZCRKFZPMC-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.74
Rot. Bonds3

About [2-(4-methylphenyl)-2-oxoethyl] acetate

[2-(4-methylphenyl)-2-oxoethyl] acetate (PubChem CID 5151332) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] acetate
PubChem CID5151332
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
InChIKeyGMGKFZCRKFZPMC-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] acetate (CID 5151332) is [2-(4-methylphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] acetate?
The InChIKey is GMGKFZCRKFZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] acetate?
[2-(4-methylphenyl)-2-oxoethyl] acetate has a molecular weight of 192.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 5151332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).