propan-2-yl 2-(2,4-dichlorophenoxy)acetate

C11H12Cl2O3 — CID 7173

IUPACpropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyWHOKDONDRZNCBC-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.32
Rot. Bonds4

About propan-2-yl 2-(2,4-dichlorophenoxy)acetate

propan-2-yl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 7173) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is propan-2-yl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,4-dichlorophenoxy)acetate
PubChem CID7173
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Namepropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyWHOKDONDRZNCBC-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2,4-dichlorophenoxy)acetate (CID 7173) is propan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2,4-dichlorophenoxy)acetate is CC(C)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is WHOKDONDRZNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
propan-2-yl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 263.12 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 7173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).