phenacyl 2-(2,4-dichlorophenoxy)acetate

C16H12Cl2O4 — CID 768874

IUPACphenacyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1
InChIInChI=1S/C16H12Cl2O4/c17-12-6-7-15(13(18)8-12)21-10-16(20)22-9-14(19)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyZAKZCAFNRLCCOR-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.80
Rot. Bonds6

About phenacyl 2-(2,4-dichlorophenoxy)acetate

phenacyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 768874) has the molecular formula C16H12Cl2O4 and a molecular weight of 339.17 g/mol. Its IUPAC name is phenacyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namephenacyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID768874
Molecular FormulaC16H12Cl2O4
Molecular Weight339.17 g/mol
Exact Mass338.01
IUPAC Namephenacyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1
InChIInChI=1S/C16H12Cl2O4/c17-12-6-7-15(13(18)8-12)21-10-16(20)22-9-14(19)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyZAKZCAFNRLCCOR-UHFFFAOYSA-N
XLogP3.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of phenacyl 2-(2,4-dichlorophenoxy)acetate (CID 768874) is phenacyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for phenacyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for phenacyl 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is ZAKZCAFNRLCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O4/c17-12-6-7-15(13(18)8-12)21-10-16(20)22-9-14(19)11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of phenacyl 2-(2,4-dichlorophenoxy)acetate?
phenacyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 339.17 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 768874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).