sodium 2-(2,4-dichlorophenoxy)acetate

C8H5Cl2NaO3 — CID 23676704

IUPACsodium 2-(2,4-dichlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyRFOHRSIAXQACDB-UHFFFAOYSA-M
MW243.02 g/mol
LogP-1.87
Rot. Bonds3

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

sodium 2-(2,4-dichlorophenoxy)acetate (PubChem CID 23676704) has the molecular formula C8H5Cl2NaO3 and a molecular weight of 243.02 g/mol. Its IUPAC name is sodium 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2,4-dichlorophenoxy)acetate
PubChem CID23676704
Molecular FormulaC8H5Cl2NaO3
Molecular Weight243.02 g/mol
Exact Mass241.95
IUPAC Namesodium 2-(2,4-dichlorophenoxy)acetate
SMILESO=C([O-])COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyRFOHRSIAXQACDB-UHFFFAOYSA-M
XLogP-1.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of sodium 2-(2,4-dichlorophenoxy)acetate (CID 23676704) is sodium 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for sodium 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for sodium 2-(2,4-dichlorophenoxy)acetate is O=C([O-])COc1ccc(Cl)cc1Cl.[Na+].
What is the InChIKey of sodium 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is RFOHRSIAXQACDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(2,4-dichlorophenoxy)acetate?
sodium 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 243.02 g/mol, XLogP of -1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 23676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).