benzhydryloxy-hydroxy-oxophosphanium

C13H12O3P+ — CID 66793238

IUPACbenzhydryloxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O3P/c14-17(15)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1
InChIKeyQPHJNIJQVGFFQK-UHFFFAOYSA-O
MW247.21 g/mol
LogP3.44
Rot. Bonds4

About benzhydryloxy-hydroxy-oxophosphanium

benzhydryloxy-hydroxy-oxophosphanium (PubChem CID 66793238) has the molecular formula C13H12O3P+ and a molecular weight of 247.21 g/mol. Its IUPAC name is benzhydryloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebenzhydryloxy-hydroxy-oxophosphanium
PubChem CID66793238
Molecular FormulaC13H12O3P+
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Namebenzhydryloxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O3P/c14-17(15)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1
InChIKeyQPHJNIJQVGFFQK-UHFFFAOYSA-O
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzhydryloxy-hydroxy-oxophosphanium 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

dibenzhydryloxy(oxo)phosphanium
CID 57050024
benzhydryloxy-oxido-oxophosphanium
CID 19805881
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
CID 173341084
hydroxy-[[hydroxy(oxo)silyl]oxy-phenylmethyl]-oxophosphanium
CID 70398699
1-dibenzhydryloxyphosphorylethanol
CID 13148202
benzhydryl 2,2-dihydroxyacetate
CID 11076121
dibenzhydryl (E)-but-2-enedioate
CID 19073748
benzhydryloxyphosphane
CID 22639277
[phenyl(sulfanyloxy)methyl]benzene
CID 87556595

Frequently Asked Questions

What is the IUPAC name of benzhydryloxy-hydroxy-oxophosphanium?
The IUPAC name of benzhydryloxy-hydroxy-oxophosphanium (CID 66793238) is benzhydryloxy-hydroxy-oxophosphanium.
What is the SMILES notation for benzhydryloxy-hydroxy-oxophosphanium?
The canonical SMILES for benzhydryloxy-hydroxy-oxophosphanium is O=[P+](O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryloxy-hydroxy-oxophosphanium?
The InChIKey is QPHJNIJQVGFFQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11O3P/c14-17(15)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/p+1.
What are the key properties of benzhydryloxy-hydroxy-oxophosphanium?
benzhydryloxy-hydroxy-oxophosphanium has a molecular weight of 247.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 66793238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).