2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium

C11H15Cl2NO3 — CID 21965

IUPAC2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C3H9N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3(2)4/h1-3H,4H2,(H,11,12);3H,4H2,1-2H3
InChIKeyHXMBBZAHRWCZOX-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.76
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium

2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium (PubChem CID 21965) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium
PubChem CID21965
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Name2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C3H9N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3(2)4/h1-3H,4H2,(H,11,12);3H,4H2,1-2H3
InChIKeyHXMBBZAHRWCZOX-UHFFFAOYSA-N
XLogP0.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
2,4-D-Dimethylammonium
CID 16180
2,4-D n-butyl ester
CID 7206
2,4-D-sodium
CID 23676704
Dichlorprop
CID 8427
2-Ethylhexyl (2,4-dichlorophenoxy)acetate
CID 61286
2,4-D Isopropyl Ester
CID 7173
Butoxyethanol ester of 2,4-dichlorophenoxyacetic acid
CID 16002
Dichlorprop-P
CID 119435
2,4-D, butoxypropyl ester
CID 15997
2,4-D-Methyl
CID 1488
2,4-D, propylene glycol butyl ether ester
CID 14840

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium (CID 21965) is 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium is CC(C)[NH3+].O=C([O-])COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium?
The InChIKey is HXMBBZAHRWCZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C3H9N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3(2)4/h1-3H,4H2,(H,11,12);3H,4H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium?
2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium has a molecular weight of 280.15 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetate;propan-2-ylazanium is sourced from PubChem (CID 21965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).