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

C11H15Cl2NO3 — CID 175420675

IUPACazane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(Cl)cc1Cl.N
InChIInChI=1S/C11H12Cl2O3.H3N/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13;/h3-5,7H,6H2,1-2H3;1H3
InChIKeyLKRGCMVQSXNSOD-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.49
Rot. Bonds4

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

azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 175420675) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Nameazane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
PubChem CID175420675
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Nameazane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(Cl)cc1Cl.N
InChIInChI=1S/C11H12Cl2O3.H3N/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13;/h3-5,7H,6H2,1-2H3;1H3
InChIKeyLKRGCMVQSXNSOD-UHFFFAOYSA-N
XLogP3.49
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17160841
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
CID 11361012
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900
propan-2-yl 2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988895
propan-2-yl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17162363
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate (CID 175420675) is azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate is CC(C)OC(=O)COc1ccc(Cl)cc1Cl.N.
What is the InChIKey of azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is LKRGCMVQSXNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3.H3N/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13;/h3-5,7H,6H2,1-2H3;1H3.
What are the key properties of azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate?
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 280.15 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 175420675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).