propan-2-yl 2-(2,6-dichlorophenoxy)acetate

C11H12Cl2O3 — CID 60643376

IUPACpropan-2-yl 2-(2,6-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-7(2)16-10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyRBIPTZCFDFLKIZ-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.32
Rot. Bonds4

About propan-2-yl 2-(2,6-dichlorophenoxy)acetate

propan-2-yl 2-(2,6-dichlorophenoxy)acetate (PubChem CID 60643376) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is propan-2-yl 2-(2,6-dichlorophenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,6-dichlorophenoxy)acetate
PubChem CID60643376
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Namepropan-2-yl 2-(2,6-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-7(2)16-10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyRBIPTZCFDFLKIZ-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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Related Compounds

propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
CID 115953158
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
propan-2-yl 2-phenoxyacetate
CID 11367560
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,6-dichlorophenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2,6-dichlorophenoxy)acetate (CID 60643376) is propan-2-yl 2-(2,6-dichlorophenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2,6-dichlorophenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2,6-dichlorophenoxy)acetate is CC(C)OC(=O)COc1c(Cl)cccc1Cl.
What is the InChIKey of propan-2-yl 2-(2,6-dichlorophenoxy)acetate?
The InChIKey is RBIPTZCFDFLKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-7(2)16-10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(2,6-dichlorophenoxy)acetate?
propan-2-yl 2-(2,6-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-(2,6-dichlorophenoxy)acetate is sourced from PubChem (CID 60643376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).