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

C16H14Cl2FO6P — CID 11327839

IUPAC[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FO6P/c1-23-26(21,22)16(10-2-5-12(19)6-3-10)25-15(20)9-24-14-7-4-11(17)8-13(14)18/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyUXIVLMXEVWDSPG-UHFFFAOYSA-N
MW423.16 g/mol
LogP4.59
Rot. Bonds7

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

[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid (PubChem CID 11327839) has the molecular formula C16H14Cl2FO6P and a molecular weight of 423.16 g/mol. Its IUPAC name is [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid
PubChem CID11327839
Molecular FormulaC16H14Cl2FO6P
Molecular Weight423.16 g/mol
Exact Mass421.99
IUPAC Name[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FO6P/c1-23-26(21,22)16(10-2-5-12(19)6-3-10)25-15(20)9-24-14-7-4-11(17)8-13(14)18/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyUXIVLMXEVWDSPG-UHFFFAOYSA-N
XLogP4.59
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.16
LogP ≤ 54.59
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

[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
CID 11408071
1-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid
CID 11361012
sodium [(4-chlorophenyl)-[2-(2,4-dichlorophenoxy)acetyl]oxymethyl]-methoxyphosphinate
CID 23676466
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
1-[2-(4-chloro-2-fluorophenoxy)acetyl]oxyethyl-methoxyphosphinic acid;2-methylpropan-2-amine
CID 71817185
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7764675
lithium 1-[2-(2,4-dichlorophenoxy)acetyl]oxypropyl-hydroxyphosphinate
CID 72697263
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9246074
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
CID 23664115
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130

Frequently Asked Questions

What is the IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid?
The IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid (CID 11327839) is [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid?
The canonical SMILES for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid is COP(=O)(O)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid?
The InChIKey is UXIVLMXEVWDSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FO6P/c1-23-26(21,22)16(10-2-5-12(19)6-3-10)25-15(20)9-24-14-7-4-11(17)8-13(14)18/h2-8,16H,9H2,1H3,(H,21,22).
What are the key properties of [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid?
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid has a molecular weight of 423.16 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-fluorophenyl)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 11327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).