potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate

C16H15ClKO6P — CID 141174626

IUPACpotassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OC(c1ccccc1)P(=O)([O-])O.[K+]
InChIInChI=1S/C16H16ClO6P.K/c1-11(22-14-9-7-13(17)8-10-14)15(18)23-16(24(19,20)21)12-5-3-2-4-6-12;/h2-11,16H,1H3,(H2,19,20,21);/q;+1/p-1
InChIKeyVXXGNQVCQIQTRA-UHFFFAOYSA-M
MW408.82 g/mol
LogP-0.10
Rot. Bonds6

About potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate

potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate (PubChem CID 141174626) has the molecular formula C16H15ClKO6P and a molecular weight of 408.82 g/mol. Its IUPAC name is potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate.

Molecular Properties

Compound Namepotassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate
PubChem CID141174626
Molecular FormulaC16H15ClKO6P
Molecular Weight408.82 g/mol
Exact Mass407.99
IUPAC Namepotassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OC(c1ccccc1)P(=O)([O-])O.[K+]
InChIInChI=1S/C16H16ClO6P.K/c1-11(22-14-9-7-13(17)8-10-14)15(18)23-16(24(19,20)21)12-5-3-2-4-6-12;/h2-11,16H,1H3,(H2,19,20,21);/q;+1/p-1
InChIKeyVXXGNQVCQIQTRA-UHFFFAOYSA-M
XLogP-0.10
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 5-0.10
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

lithium 1-[2-(4-chlorophenoxy)propanoyloxy]propyl-hydroxyphosphinate
CID 141174638
(1-oxo-1-phenylpropan-2-yl) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 70588424
1-[2-(4-chlorophenoxy)propanoyloxy]butylphosphonic acid
CID 141174625
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
2-(4-chlorophenoxy)propanoate
CID 4556388
[phenoxy(phenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
CID 18697533
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
CID 54856773
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520

Frequently Asked Questions

What is the IUPAC name of potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate?
The IUPAC name of potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate (CID 141174626) is potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate.
What is the SMILES notation for potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate?
The canonical SMILES for potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate is CC(Oc1ccc(Cl)cc1)C(=O)OC(c1ccccc1)P(=O)([O-])O.[K+].
What is the InChIKey of potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate?
The InChIKey is VXXGNQVCQIQTRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16ClO6P.K/c1-11(22-14-9-7-13(17)8-10-14)15(18)23-16(24(19,20)21)12-5-3-2-4-6-12;/h2-11,16H,1H3,(H2,19,20,21);/q;+1/p-1.
What are the key properties of potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate?
potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate has a molecular weight of 408.82 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(4-chlorophenoxy)propanoyloxy-phenylmethyl]-hydroxyphosphinate is sourced from PubChem (CID 141174626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).