bis(3-hydroxyphenoxy)-oxophosphanium

C12H10O5P+ — CID 68909163

IUPACbis(3-hydroxyphenoxy)-oxophosphanium
SMILESO=[P+](Oc1cccc(O)c1)Oc1cccc(O)c1
InChIInChI=1S/C12H9O5P/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h1-8H,(H-,13,14)/p+1
InChIKeyQPLHJCKFMKMEEN-UHFFFAOYSA-O
MW265.18 g/mol
LogP3.21
Rot. Bonds4

About bis(3-hydroxyphenoxy)-oxophosphanium

bis(3-hydroxyphenoxy)-oxophosphanium (PubChem CID 68909163) has the molecular formula C12H10O5P+ and a molecular weight of 265.18 g/mol. Its IUPAC name is bis(3-hydroxyphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-hydroxyphenoxy)-oxophosphanium
PubChem CID68909163
Molecular FormulaC12H10O5P+
Molecular Weight265.18 g/mol
Exact Mass265.03
IUPAC Namebis(3-hydroxyphenoxy)-oxophosphanium
SMILESO=[P+](Oc1cccc(O)c1)Oc1cccc(O)c1
InChIInChI=1S/C12H9O5P/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h1-8H,(H-,13,14)/p+1
InChIKeyQPLHJCKFMKMEEN-UHFFFAOYSA-O
XLogP3.21
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium
CID 174985274
(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium
CID 175545445
copper;oxo(diphenoxy)phosphanium
CID 158842365
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
3-phenylperoxyphenol
CID 87446766
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
CID 20686410
CID 87675096
CID 87675096
CID 174322695
CID 174322695

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxyphenoxy)-oxophosphanium?
The IUPAC name of bis(3-hydroxyphenoxy)-oxophosphanium (CID 68909163) is bis(3-hydroxyphenoxy)-oxophosphanium.
What is the SMILES notation for bis(3-hydroxyphenoxy)-oxophosphanium?
The canonical SMILES for bis(3-hydroxyphenoxy)-oxophosphanium is O=[P+](Oc1cccc(O)c1)Oc1cccc(O)c1.
What is the InChIKey of bis(3-hydroxyphenoxy)-oxophosphanium?
The InChIKey is QPLHJCKFMKMEEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9O5P/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h1-8H,(H-,13,14)/p+1.
What are the key properties of bis(3-hydroxyphenoxy)-oxophosphanium?
bis(3-hydroxyphenoxy)-oxophosphanium has a molecular weight of 265.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxyphenoxy)-oxophosphanium is sourced from PubChem (CID 68909163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).