benzhydryloxy-oxido-oxophosphanium

C13H11O3P — CID 19805881

IUPACbenzhydryloxy-oxido-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
InChIKeyQPHJNIJQVGFFQK-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.81
Rot. Bonds4

About benzhydryloxy-oxido-oxophosphanium

benzhydryloxy-oxido-oxophosphanium (PubChem CID 19805881) has the molecular formula C13H11O3P and a molecular weight of 246.20 g/mol. Its IUPAC name is benzhydryloxy-oxido-oxophosphanium.

Molecular Properties

Compound Namebenzhydryloxy-oxido-oxophosphanium
PubChem CID19805881
Molecular FormulaC13H11O3P
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Namebenzhydryloxy-oxido-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
InChIKeyQPHJNIJQVGFFQK-UHFFFAOYSA-N
XLogP2.81
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzhydryloxy(oxo)phosphanium
CID 57050024
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
calcium;[chloro(phenyl)methyl]benzene;oxido-oxo-phosphooxyphosphanium
CID 88679181
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
CID 71431251
[phenyl(sulfanyloxy)methyl]benzene
CID 87556595
[phenyl(selanyloxy)methyl]benzene
CID 173319425
CID 173161446
CID 173161446
benzhydryloxyphosphane
CID 22639277
oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate
CID 90015244
methylidene-oxido-phenoxyphosphanium
CID 175091171
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087

Frequently Asked Questions

What is the IUPAC name of benzhydryloxy-oxido-oxophosphanium?
The IUPAC name of benzhydryloxy-oxido-oxophosphanium (CID 19805881) is benzhydryloxy-oxido-oxophosphanium.
What is the SMILES notation for benzhydryloxy-oxido-oxophosphanium?
The canonical SMILES for benzhydryloxy-oxido-oxophosphanium is O=[P+]([O-])OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryloxy-oxido-oxophosphanium?
The InChIKey is QPHJNIJQVGFFQK-UHFFFAOYSA-N. 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.
What are the key properties of benzhydryloxy-oxido-oxophosphanium?
benzhydryloxy-oxido-oxophosphanium has a molecular weight of 246.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxy-oxido-oxophosphanium is sourced from PubChem (CID 19805881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).