disodium bis(2-(2,4-dichlorophenoxy)acetate)

C16H10Cl4Na2O6 — CID 66727836

IUPACdisodium bis(2-(2,4-dichlorophenoxy)acetate)
SMILESO=C([O-])COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl.[Na+].[Na+]
InChIInChI=1S/2C8H6Cl2O3.2Na/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;;/h2*1-3H,4H2,(H,11,12);;/q;;2*+1/p-2
InChIKeyQJCQUKZRCKJBGF-UHFFFAOYSA-L
MW486.04 g/mol
LogP-3.75
Rot. Bonds6

About disodium bis(2-(2,4-dichlorophenoxy)acetate)

disodium bis(2-(2,4-dichlorophenoxy)acetate) (PubChem CID 66727836) has the molecular formula C16H10Cl4Na2O6 and a molecular weight of 486.04 g/mol. Its IUPAC name is disodium bis(2-(2,4-dichlorophenoxy)acetate).

Molecular Properties

Compound Namedisodium bis(2-(2,4-dichlorophenoxy)acetate)
PubChem CID66727836
Molecular FormulaC16H10Cl4Na2O6
Molecular Weight486.04 g/mol
Exact Mass483.90
IUPAC Namedisodium bis(2-(2,4-dichlorophenoxy)acetate)
SMILESO=C([O-])COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl.[Na+].[Na+]
InChIInChI=1S/2C8H6Cl2O3.2Na/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;;/h2*1-3H,4H2,(H,11,12);;/q;;2*+1/p-2
InChIKeyQJCQUKZRCKJBGF-UHFFFAOYSA-L
XLogP-3.75
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 5-3.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of disodium bis(2-(2,4-dichlorophenoxy)acetate)?
The IUPAC name of disodium bis(2-(2,4-dichlorophenoxy)acetate) (CID 66727836) is disodium bis(2-(2,4-dichlorophenoxy)acetate).
What is the SMILES notation for disodium bis(2-(2,4-dichlorophenoxy)acetate)?
The canonical SMILES for disodium bis(2-(2,4-dichlorophenoxy)acetate) is O=C([O-])COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl.[Na+].[Na+].
What is the InChIKey of disodium bis(2-(2,4-dichlorophenoxy)acetate)?
The InChIKey is QJCQUKZRCKJBGF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H6Cl2O3.2Na/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;;/h2*1-3H,4H2,(H,11,12);;/q;;2*+1/p-2.
What are the key properties of disodium bis(2-(2,4-dichlorophenoxy)acetate)?
disodium bis(2-(2,4-dichlorophenoxy)acetate) has a molecular weight of 486.04 g/mol, XLogP of -3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(2-(2,4-dichlorophenoxy)acetate) is sourced from PubChem (CID 66727836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).