propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate

C13H15ClO4 — CID 55021490

IUPACpropan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C13H15ClO4/c1-8(2)18-13(16)7-17-12-5-4-10(14)6-11(12)9(3)15/h4-6,8H,7H2,1-3H3
InChIKeyJFKWVWFCTLFIQF-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.87
Rot. Bonds5

About propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate

propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate (PubChem CID 55021490) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
PubChem CID55021490
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Namepropan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C13H15ClO4/c1-8(2)18-13(16)7-17-12-5-4-10(14)6-11(12)9(3)15/h4-6,8H,7H2,1-3H3
InChIKeyJFKWVWFCTLFIQF-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
3-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpropanoic acid
CID 79623384
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate (CID 55021490) is propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate is CC(=O)c1cc(Cl)ccc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate?
The InChIKey is JFKWVWFCTLFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-8(2)18-13(16)7-17-12-5-4-10(14)6-11(12)9(3)15/h4-6,8H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate?
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate has a molecular weight of 270.71 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate is sourced from PubChem (CID 55021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).