tris(2-(2,4-dichlorophenoxy)acetic acid);samarium

C24H18Cl6O9Sm — CID 164580360

IUPACtris(2-(2,4-dichlorophenoxy)acetic acid);samarium
SMILESO=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.[Sm]
InChIInChI=1S/3C8H6Cl2O3.Sm/c3*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h3*1-3H,4H2,(H,11,12);
InChIKeyARXDYSRJWHNSIH-UHFFFAOYSA-N
MW813.48 g/mol
LogP7.37
Rot. Bonds9

About tris(2-(2,4-dichlorophenoxy)acetic acid);samarium

tris(2-(2,4-dichlorophenoxy)acetic acid);samarium (PubChem CID 164580360) has the molecular formula C24H18Cl6O9Sm and a molecular weight of 813.48 g/mol. Its IUPAC name is tris(2-(2,4-dichlorophenoxy)acetic acid);samarium.

Molecular Properties

Compound Nametris(2-(2,4-dichlorophenoxy)acetic acid);samarium
PubChem CID164580360
Molecular FormulaC24H18Cl6O9Sm
Molecular Weight813.48 g/mol
Exact Mass811.83
IUPAC Nametris(2-(2,4-dichlorophenoxy)acetic acid);samarium
SMILESO=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.[Sm]
InChIInChI=1S/3C8H6Cl2O3.Sm/c3*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h3*1-3H,4H2,(H,11,12);
InChIKeyARXDYSRJWHNSIH-UHFFFAOYSA-N
XLogP7.37
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.48
LogP ≤ 57.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,4-dichlorophenoxy)acetic acid);samarium?
The IUPAC name of tris(2-(2,4-dichlorophenoxy)acetic acid);samarium (CID 164580360) is tris(2-(2,4-dichlorophenoxy)acetic acid);samarium.
What is the SMILES notation for tris(2-(2,4-dichlorophenoxy)acetic acid);samarium?
The canonical SMILES for tris(2-(2,4-dichlorophenoxy)acetic acid);samarium is O=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.O=C(O)COc1ccc(Cl)cc1Cl.[Sm].
What is the InChIKey of tris(2-(2,4-dichlorophenoxy)acetic acid);samarium?
The InChIKey is ARXDYSRJWHNSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6Cl2O3.Sm/c3*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h3*1-3H,4H2,(H,11,12);.
What are the key properties of tris(2-(2,4-dichlorophenoxy)acetic acid);samarium?
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium has a molecular weight of 813.48 g/mol, XLogP of 7.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2,4-dichlorophenoxy)acetic acid);samarium is sourced from PubChem (CID 164580360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).