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

C10H9ClO3 — CID 587254

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyFTUYTARZCNUSDA-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.09
Rot. Bonds3

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

[2-(4-chlorophenyl)-2-oxoethyl] acetate (PubChem CID 587254) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] acetate
PubChem CID587254
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyFTUYTARZCNUSDA-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] acetate (CID 587254) is [2-(4-chlorophenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] acetate?
The InChIKey is FTUYTARZCNUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] acetate?
[2-(4-chlorophenyl)-2-oxoethyl] acetate has a molecular weight of 212.63 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 587254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).