1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid

C11H13Cl2O6P — CID 11361012

IUPAC1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
SMILESCOP(=O)(O)C(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2O6P/c1-7(20(15,16)17-2)19-11(14)6-18-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyOOYYLOYZRMIFDL-UHFFFAOYSA-N
MW343.10 g/mol
LogP3.09
Rot. Bonds6

About 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid

1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid (PubChem CID 11361012) has the molecular formula C11H13Cl2O6P and a molecular weight of 343.10 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
PubChem CID11361012
Molecular FormulaC11H13Cl2O6P
Molecular Weight343.10 g/mol
Exact Mass341.98
IUPAC Name1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
SMILESCOP(=O)(O)C(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2O6P/c1-7(20(15,16)17-2)19-11(14)6-18-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyOOYYLOYZRMIFDL-UHFFFAOYSA-N
XLogP3.09
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chloro-2-fluorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid;2-methylpropan-2-amine
CID 71817185
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
CID 11408071
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid
CID 11327839
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
lithium 1-[2-(2,4-dichlorophenoxy)acetyl]oxypropyl-hydroxyphosphinate
CID 72697263
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
sodium [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)acetyl]oxymethyl]-methoxyphosphinate
CID 23676466
sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
CID 23664115
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid (CID 11361012) is 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid is COP(=O)(O)C(C)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid?
The InChIKey is OOYYLOYZRMIFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2O6P/c1-7(20(15,16)17-2)19-11(14)6-18-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid?
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid has a molecular weight of 343.10 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid is sourced from PubChem (CID 11361012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).