dihydroxy(oxo)phosphanium;tris(1,2-xylene)

C24H32O3P+ — CID 175961535

IUPACdihydroxy(oxo)phosphanium;tris(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.O=[P+](O)O
InChIInChI=1S/3C8H10.HO3P/c3*1-7-5-3-4-6-8(7)2;1-4(2)3/h3*3-6H,1-2H3;(H-,1,2,3)/p+1
InChIKeyFGNAHPLXWYWAKH-UHFFFAOYSA-O
MW399.49 g/mol
LogP6.54
Rot. Bonds

About dihydroxy(oxo)phosphanium;tris(1,2-xylene)

dihydroxy(oxo)phosphanium;tris(1,2-xylene) (PubChem CID 175961535) has the molecular formula C24H32O3P+ and a molecular weight of 399.49 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;tris(1,2-xylene).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;tris(1,2-xylene)
PubChem CID175961535
Molecular FormulaC24H32O3P+
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Namedihydroxy(oxo)phosphanium;tris(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.O=[P+](O)O
InChIInChI=1S/3C8H10.HO3P/c3*1-7-5-3-4-6-8(7)2;1-4(2)3/h3*3-6H,1-2H3;(H-,1,2,3)/p+1
InChIKeyFGNAHPLXWYWAKH-UHFFFAOYSA-O
XLogP6.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;tris(1,2-xylene)?
The IUPAC name of dihydroxy(oxo)phosphanium;tris(1,2-xylene) (CID 175961535) is dihydroxy(oxo)phosphanium;tris(1,2-xylene).
What is the SMILES notation for dihydroxy(oxo)phosphanium;tris(1,2-xylene)?
The canonical SMILES for dihydroxy(oxo)phosphanium;tris(1,2-xylene) is Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;tris(1,2-xylene)?
The InChIKey is FGNAHPLXWYWAKH-UHFFFAOYSA-O. The full InChI is InChI=1S/3C8H10.HO3P/c3*1-7-5-3-4-6-8(7)2;1-4(2)3/h3*3-6H,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;tris(1,2-xylene)?
dihydroxy(oxo)phosphanium;tris(1,2-xylene) has a molecular weight of 399.49 g/mol, XLogP of 6.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;tris(1,2-xylene) is sourced from PubChem (CID 175961535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).