[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium

C25H20O5P2+2 — CID 175481960

IUPAC[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium
SMILESO=[P+](Oc1ccc(C(O)c2ccc(O[P+](=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H20O5P2/c26-25(19-11-15-21(16-12-19)29-31(27)23-7-3-1-4-8-23)20-13-17-22(18-14-20)30-32(28)24-9-5-2-6-10-24/h1-18,25-26H/q+2
InChIKeyJALWPRFUJVUPNC-UHFFFAOYSA-N
MW462.38 g/mol
LogP5.66
Rot. Bonds8

About [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium

[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium (PubChem CID 175481960) has the molecular formula C25H20O5P2+2 and a molecular weight of 462.38 g/mol. Its IUPAC name is [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium
PubChem CID175481960
Molecular FormulaC25H20O5P2+2
Molecular Weight462.38 g/mol
Exact Mass462.08
IUPAC Name[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium
SMILESO=[P+](Oc1ccc(C(O)c2ccc(O[P+](=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H20O5P2/c26-25(19-11-15-21(16-12-19)29-31(27)23-7-3-1-4-8-23)20-13-17-22(18-14-20)30-32(28)24-9-5-2-6-10-24/h1-18,25-26H/q+2
InChIKeyJALWPRFUJVUPNC-UHFFFAOYSA-N
XLogP5.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 55.66
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

magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
(4-hydroxyphenoxy)-(4-hydroxyphenyl)-oxophosphanium
CID 166720824
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
hydroxy-(4-methylphenyl)-oxophosphanium;(4-methylphenoxy)-(4-methylphenyl)-oxophosphanium
CID 175313634
(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium
CID 69002198
aminooxy-oxo-phenylphosphanium
CID 67992641
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
methyl-oxo-(4-phenylphenoxy)phosphanium
CID 164967000
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium?
The IUPAC name of [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium (CID 175481960) is [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium.
What is the SMILES notation for [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium?
The canonical SMILES for [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium is O=[P+](Oc1ccc(C(O)c2ccc(O[P+](=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium?
The InChIKey is JALWPRFUJVUPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O5P2/c26-25(19-11-15-21(16-12-19)29-31(27)23-7-3-1-4-8-23)20-13-17-22(18-14-20)30-32(28)24-9-5-2-6-10-24/h1-18,25-26H/q+2.
What are the key properties of [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium?
[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium has a molecular weight of 462.38 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium is sourced from PubChem (CID 175481960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).