cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium

C24H20O5P+ — CID 175409528

IUPACcyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium
SMILESO=C1C=CC(=O)C=C1.O[P+](Oc1ccccc1)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O3P.C6H4O2/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;7-5-1-2-6(8)4-3-5/h1-15,19H;1-4H/q+1;
InChIKeyPZTDWDZMWDDLLJ-UHFFFAOYSA-N
MW419.39 g/mol
LogP4.48
Rot. Bonds5

About cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium

cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium (PubChem CID 175409528) has the molecular formula C24H20O5P+ and a molecular weight of 419.39 g/mol. Its IUPAC name is cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium.

Molecular Properties

Compound Namecyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium
PubChem CID175409528
Molecular FormulaC24H20O5P+
Molecular Weight419.39 g/mol
Exact Mass419.10
IUPAC Namecyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium
SMILESO=C1C=CC(=O)C=C1.O[P+](Oc1ccccc1)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O3P.C6H4O2/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;7-5-1-2-6(8)4-3-5/h1-15,19H;1-4H/q+1;
InChIKeyPZTDWDZMWDDLLJ-UHFFFAOYSA-N
XLogP4.48
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trihydroxy(phenoxy)phosphanium
CID 11592959
dichloro-hydroxy-phenoxyphosphanium
CID 23414991
dihydroxy-(4-methylphenoxy)-phenylphosphanium
CID 174478390
anthracene;cyclohexa-2,5-diene-1,4-dione
CID 118268436
1-phenoxyethanol
CID 66611531
dimethyl(diphenoxy)phosphanium
CID 118068912
bromobenzene;cyclohexa-2,5-diene-1,4-dione
CID 174480452
1-phenoxyethanol;trihydrate
CID 175915128
hydroxy-phenoxy-dipropylphosphanium
CID 69049666
1-phenoxypropane-1,2-diol
CID 22140567
benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium
CID 174804192
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium?
The IUPAC name of cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium (CID 175409528) is cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium.
What is the SMILES notation for cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium?
The canonical SMILES for cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium is O=C1C=CC(=O)C=C1.O[P+](Oc1ccccc1)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium?
The InChIKey is PZTDWDZMWDDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3P.C6H4O2/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;7-5-1-2-6(8)4-3-5/h1-15,19H;1-4H/q+1;.
What are the key properties of cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium?
cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium has a molecular weight of 419.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-diene-1,4-dione;hydroxy-diphenoxy-phenylphosphanium is sourced from PubChem (CID 175409528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).