dichloro-hydroxy-phenoxyphosphanium

C6H6Cl2O2P+ — CID 23414991

IUPACdichloro-hydroxy-phenoxyphosphanium
SMILESO[P+](Cl)(Cl)Oc1ccccc1
InChIInChI=1S/C6H6Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5,9H/q+1
InChIKeyRETYEUICIHVAGL-UHFFFAOYSA-N
MW211.99 g/mol
LogP3.21
Rot. Bonds2

About dichloro-hydroxy-phenoxyphosphanium

dichloro-hydroxy-phenoxyphosphanium (PubChem CID 23414991) has the molecular formula C6H6Cl2O2P+ and a molecular weight of 211.99 g/mol. Its IUPAC name is dichloro-hydroxy-phenoxyphosphanium.

Molecular Properties

Compound Namedichloro-hydroxy-phenoxyphosphanium
PubChem CID23414991
Molecular FormulaC6H6Cl2O2P+
Molecular Weight211.99 g/mol
Exact Mass210.95
IUPAC Namedichloro-hydroxy-phenoxyphosphanium
SMILESO[P+](Cl)(Cl)Oc1ccccc1
InChIInChI=1S/C6H6Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5,9H/q+1
InChIKeyRETYEUICIHVAGL-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trihydroxy(phenoxy)phosphanium
CID 11592959
chloroform;1-phenoxyethanol
CID 160851082
1-phenoxyethanol
CID 66611531
1,2,2-trichloro-2-phenoxyethanol
CID 70373025
dimethyl(diphenoxy)phosphanium
CID 118068912
1-phenoxyethanol;trihydrate
CID 175915128
3-chloro-1-phenoxypropan-1-ol
CID 154138508
hydroxy-phenoxy-dipropylphosphanium
CID 69049666
1,2-dichloropropoxybenzene
CID 118151210
1-phenoxypropane-1,2-diol
CID 22140567
2-chloro-2-phenoxyacetonitrile
CID 53400486
3-chloro-3-phenoxypropanoic acid
CID 91230963

Frequently Asked Questions

What is the IUPAC name of dichloro-hydroxy-phenoxyphosphanium?
The IUPAC name of dichloro-hydroxy-phenoxyphosphanium (CID 23414991) is dichloro-hydroxy-phenoxyphosphanium.
What is the SMILES notation for dichloro-hydroxy-phenoxyphosphanium?
The canonical SMILES for dichloro-hydroxy-phenoxyphosphanium is O[P+](Cl)(Cl)Oc1ccccc1.
What is the InChIKey of dichloro-hydroxy-phenoxyphosphanium?
The InChIKey is RETYEUICIHVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5,9H/q+1.
What are the key properties of dichloro-hydroxy-phenoxyphosphanium?
dichloro-hydroxy-phenoxyphosphanium has a molecular weight of 211.99 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-hydroxy-phenoxyphosphanium is sourced from PubChem (CID 23414991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).