sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate

C10H10Cl2NaO6P — CID 23664115

IUPACsodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
SMILESCOP(=O)([O-])COC(=O)COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C10H11Cl2O6P.Na/c1-16-19(14,15)6-18-10(13)5-17-9-3-2-7(11)4-8(9)12;/h2-4H,5-6H2,1H3,(H,14,15);/q;+1/p-1
InChIKeySWJWXKOCBUESGR-UHFFFAOYSA-M
MW351.05 g/mol
LogP-0.92
Rot. Bonds6

About sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate

sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate (PubChem CID 23664115) has the molecular formula C10H10Cl2NaO6P and a molecular weight of 351.05 g/mol. Its IUPAC name is sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate.

Molecular Properties

Compound Namesodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
PubChem CID23664115
Molecular FormulaC10H10Cl2NaO6P
Molecular Weight351.05 g/mol
Exact Mass349.95
IUPAC Namesodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
SMILESCOP(=O)([O-])COC(=O)COc1ccc(Cl)cc1Cl.[Na+]
InChIInChI=1S/C10H11Cl2O6P.Na/c1-16-19(14,15)6-18-10(13)5-17-9-3-2-7(11)4-8(9)12;/h2-4H,5-6H2,1H3,(H,14,15);/q;+1/p-1
InChIKeySWJWXKOCBUESGR-UHFFFAOYSA-M
XLogP-0.92
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.05
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
sodium [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)acetyl]oxymethyl]-methoxyphosphinate
CID 23676466
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
CID 11361012
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
lithium 1-[2-(2,4-dichlorophenoxy)acetyl]oxypropyl-hydroxyphosphinate
CID 72697263
hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017

Frequently Asked Questions

What is the IUPAC name of sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate?
The IUPAC name of sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate (CID 23664115) is sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate.
What is the SMILES notation for sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate?
The canonical SMILES for sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate is COP(=O)([O-])COC(=O)COc1ccc(Cl)cc1Cl.[Na+].
What is the InChIKey of sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate?
The InChIKey is SWJWXKOCBUESGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11Cl2O6P.Na/c1-16-19(14,15)6-18-10(13)5-17-9-3-2-7(11)4-8(9)12;/h2-4H,5-6H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate?
sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate has a molecular weight of 351.05 g/mol, XLogP of -0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate is sourced from PubChem (CID 23664115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).