[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid

C11H17ClO6P2 — CID 102300014

IUPAC[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(c1ccc(Cl)cc1)P(=O)(O)OCC
InChIInChI=1S/C11H17ClO6P2/c1-3-17-19(13,14)11(20(15,16)18-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLXTSLEZGUJLFGB-UHFFFAOYSA-N
MW342.65 g/mol
LogP3.78
Rot. Bonds7

About [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid

[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid (PubChem CID 102300014) has the molecular formula C11H17ClO6P2 and a molecular weight of 342.65 g/mol. Its IUPAC name is [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
PubChem CID102300014
Molecular FormulaC11H17ClO6P2
Molecular Weight342.65 g/mol
Exact Mass342.02
IUPAC Name[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(c1ccc(Cl)cc1)P(=O)(O)OCC
InChIInChI=1S/C11H17ClO6P2/c1-3-17-19(13,14)11(20(15,16)18-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLXTSLEZGUJLFGB-UHFFFAOYSA-N
XLogP3.78
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
[(4-chlorophenyl)-(phenylmethoxycarbonylamino)methyl]-ethoxyphosphinic acid
CID 14959162
4-(4-chlorophenyl)-1-diethoxyphosphoryl-4-hydroxybutan-2-one
CID 23420723
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid
CID 141142647
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
CID 11042650
1-(4-chlorophenoxy)-3-diethoxyphosphorylpropan-2-one
CID 14736193
[1-(4-chlorophenyl)-2-diethoxyphosphorylethyl] diethyl phosphate
CID 10048238
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
1-(4-chlorophenoxy)propylphosphonic acid
CID 67896199
1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
CID 102104724

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid?
The IUPAC name of [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid (CID 102300014) is [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid.
What is the SMILES notation for [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid?
The canonical SMILES for [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid is CCOP(=O)(O)C(c1ccc(Cl)cc1)P(=O)(O)OCC.
What is the InChIKey of [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid?
The InChIKey is LXTSLEZGUJLFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO6P2/c1-3-17-19(13,14)11(20(15,16)18-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid?
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid has a molecular weight of 342.65 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid is sourced from PubChem (CID 102300014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).