[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium

C24H19O8P2+ — CID 59089948

IUPAC[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O)c2)c1
InChIInChI=1S/C24H18O8P2/c25-19-9-7-15-23(17-19)31-34(27,30-21-12-5-2-6-13-21)32-24-16-8-14-22(18-24)29-33(26)28-20-10-3-1-4-11-20/h1-18H/p+1
InChIKeyFBAXABCKPNRYNN-UHFFFAOYSA-O
MW497.36 g/mol
LogP7.15
Rot. Bonds10

About [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium

[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium (PubChem CID 59089948) has the molecular formula C24H19O8P2+ and a molecular weight of 497.36 g/mol. Its IUPAC name is [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
PubChem CID59089948
Molecular FormulaC24H19O8P2+
Molecular Weight497.36 g/mol
Exact Mass497.05
IUPAC Name[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
SMILESO=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O)c2)c1
InChIInChI=1S/C24H18O8P2/c25-19-9-7-15-23(17-19)31-34(27,30-21-12-5-2-6-13-21)32-24-16-8-14-22(18-24)29-33(26)28-20-10-3-1-4-11-20/h1-18H/p+1
InChIKeyFBAXABCKPNRYNN-UHFFFAOYSA-O
XLogP7.15
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.36
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
CID 20712633
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469
copper;oxo(diphenoxy)phosphanium
CID 158842365
[4-(4-methylphenyl)phenyl] diphenyl phosphate;oxo(diphenoxy)phosphanium
CID 91420416
(3-fluorophenyl) diphenyl phosphate
CID 154131589
oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
CID 20686410
(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(3-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 166967695

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium?
The IUPAC name of [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium (CID 59089948) is [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium.
What is the SMILES notation for [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium?
The canonical SMILES for [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium is O=[P+](Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(O)c2)c1.
What is the InChIKey of [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium?
The InChIKey is FBAXABCKPNRYNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H18O8P2/c25-19-9-7-15-23(17-19)31-34(27,30-21-12-5-2-6-13-21)32-24-16-8-14-22(18-24)29-33(26)28-20-10-3-1-4-11-20/h1-18H/p+1.
What are the key properties of [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium?
[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium has a molecular weight of 497.36 g/mol, XLogP of 7.15, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium is sourced from PubChem (CID 59089948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).