dihydroxy(oxo)phosphanium;bis(1,4-xylene)

C16H22O3P+ — CID 174402873

IUPACdihydroxy(oxo)phosphanium;bis(1,4-xylene)
SMILESCc1ccc(C)cc1.Cc1ccc(C)cc1.O=[P+](O)O
InChIInChI=1S/2C8H10.HO3P/c2*1-7-3-5-8(2)6-4-7;1-4(2)3/h2*3-6H,1-2H3;(H-,1,2,3)/p+1
InChIKeyLHRYVEVBXVGYFZ-UHFFFAOYSA-O
MW293.32 g/mol
LogP4.24
Rot. Bonds

About dihydroxy(oxo)phosphanium;bis(1,4-xylene)

dihydroxy(oxo)phosphanium;bis(1,4-xylene) (PubChem CID 174402873) has the molecular formula C16H22O3P+ and a molecular weight of 293.32 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(1,4-xylene).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(1,4-xylene)
PubChem CID174402873
Molecular FormulaC16H22O3P+
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namedihydroxy(oxo)phosphanium;bis(1,4-xylene)
SMILESCc1ccc(C)cc1.Cc1ccc(C)cc1.O=[P+](O)O
InChIInChI=1S/2C8H10.HO3P/c2*1-7-3-5-8(2)6-4-7;1-4(2)3/h2*3-6H,1-2H3;(H-,1,2,3)/p+1
InChIKeyLHRYVEVBXVGYFZ-UHFFFAOYSA-O
XLogP4.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
CID 67894113
phosphenous acid;1,4-xylene
CID 88744725
dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
CID 175432319
carbonic acid;1,4-xylene
CID 89415214
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
ethane;methanol;1,4-xylene
CID 171074418
sulfuric acid;1,4-xylene
CID 18423372
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
phosphenous acid;toluene;hydrate
CID 174646588
potassium;hydride;1,4-xylene
CID 173420414

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(1,4-xylene)?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(1,4-xylene) (CID 174402873) is dihydroxy(oxo)phosphanium;bis(1,4-xylene).
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(1,4-xylene)?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(1,4-xylene) is Cc1ccc(C)cc1.Cc1ccc(C)cc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(1,4-xylene)?
The InChIKey is LHRYVEVBXVGYFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C8H10.HO3P/c2*1-7-3-5-8(2)6-4-7;1-4(2)3/h2*3-6H,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(1,4-xylene)?
dihydroxy(oxo)phosphanium;bis(1,4-xylene) has a molecular weight of 293.32 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(1,4-xylene) is sourced from PubChem (CID 174402873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).