dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)

C16H16Cl6O5P+ — CID 88780474

IUPACdichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
SMILESCC(O)Oc1ccc(Cl)cc1Cl.CC(O)Oc1ccc(Cl)cc1Cl.O=[P+](Cl)Cl
InChIInChI=1S/2C8H8Cl2O2.Cl2OP/c2*1-5(11)12-8-3-2-6(9)4-7(8)10;1-4(2)3/h2*2-5,11H,1H3;/q;;+1
InChIKeyLVHWAFXCPCBEED-UHFFFAOYSA-N
MW531.99 g/mol
LogP7.54
Rot. Bonds4

About dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)

dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol) (PubChem CID 88780474) has the molecular formula C16H16Cl6O5P+ and a molecular weight of 531.99 g/mol. Its IUPAC name is dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol).

Molecular Properties

Compound Namedichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
PubChem CID88780474
Molecular FormulaC16H16Cl6O5P+
Molecular Weight531.99 g/mol
Exact Mass528.89
IUPAC Namedichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
SMILESCC(O)Oc1ccc(Cl)cc1Cl.CC(O)Oc1ccc(Cl)cc1Cl.O=[P+](Cl)Cl
InChIInChI=1S/2C8H8Cl2O2.Cl2OP/c2*1-5(11)12-8-3-2-6(9)4-7(8)10;1-4(2)3/h2*2-5,11H,1H3;/q;;+1
InChIKeyLVHWAFXCPCBEED-UHFFFAOYSA-N
XLogP7.54
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.99
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
1,1-bis(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-ol
CID 13326121
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2,3-dihydroxypropyl 2-(2,4-dichlorophenoxy)propanoate
CID 90904922
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
1-chloro-1-(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-one
CID 15070677
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417

Frequently Asked Questions

What is the IUPAC name of dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)?
The IUPAC name of dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol) (CID 88780474) is dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol).
What is the SMILES notation for dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)?
The canonical SMILES for dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol) is CC(O)Oc1ccc(Cl)cc1Cl.CC(O)Oc1ccc(Cl)cc1Cl.O=[P+](Cl)Cl.
What is the InChIKey of dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)?
The InChIKey is LVHWAFXCPCBEED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8Cl2O2.Cl2OP/c2*1-5(11)12-8-3-2-6(9)4-7(8)10;1-4(2)3/h2*2-5,11H,1H3;/q;;+1.
What are the key properties of dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)?
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol) has a molecular weight of 531.99 g/mol, XLogP of 7.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol) is sourced from PubChem (CID 88780474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).