[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid

C17H17Cl2O7P — CID 11408071

IUPAC[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
SMILESCOc1ccc(C(OC(=O)COc2ccc(Cl)cc2Cl)P(=O)(O)OC)cc1
InChIInChI=1S/C17H17Cl2O7P/c1-23-13-6-3-11(4-7-13)17(27(21,22)24-2)26-16(20)10-25-15-8-5-12(18)9-14(15)19/h3-9,17H,10H2,1-2H3,(H,21,22)
InChIKeyKDXUWAXNXAMGLX-UHFFFAOYSA-N
MW435.20 g/mol
LogP4.45
Rot. Bonds8

About [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid

[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid (PubChem CID 11408071) has the molecular formula C17H17Cl2O7P and a molecular weight of 435.20 g/mol. Its IUPAC name is [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
PubChem CID11408071
Molecular FormulaC17H17Cl2O7P
Molecular Weight435.20 g/mol
Exact Mass434.01
IUPAC Name[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
SMILESCOc1ccc(C(OC(=O)COc2ccc(Cl)cc2Cl)P(=O)(O)OC)cc1
InChIInChI=1S/C17H17Cl2O7P/c1-23-13-6-3-11(4-7-13)17(27(21,22)24-2)26-16(20)10-25-15-8-5-12(18)9-14(15)19/h3-9,17H,10H2,1-2H3,(H,21,22)
InChIKeyKDXUWAXNXAMGLX-UHFFFAOYSA-N
XLogP4.45
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid
CID 11327839
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
CID 11361012
sodium [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)acetyl]oxymethyl]-methoxyphosphinate
CID 23676466
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
CID 57328666
lithium 1-[2-(2,4-dichlorophenoxy)acetyl]oxypropyl-hydroxyphosphinate
CID 72697263
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
1-[2-(4-chloro-2-fluorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid;2-methylpropan-2-amine
CID 71817185
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
CID 23664115

Frequently Asked Questions

What is the IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid (CID 11408071) is [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The canonical SMILES for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid is COc1ccc(C(OC(=O)COc2ccc(Cl)cc2Cl)P(=O)(O)OC)cc1.
What is the InChIKey of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The InChIKey is KDXUWAXNXAMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2O7P/c1-23-13-6-3-11(4-7-13)17(27(21,22)24-2)26-16(20)10-25-15-8-5-12(18)9-14(15)19/h3-9,17H,10H2,1-2H3,(H,21,22).
What are the key properties of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid has a molecular weight of 435.20 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 11408071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).