benzhydryl-chloro-oxophosphanium

C13H11ClOP+ — CID 174729977

IUPACbenzhydryl-chloro-oxophosphanium
SMILESO=[P+](Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClOP/c14-16(15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/q+1
InChIKeyBOOYVUQLWATKCR-UHFFFAOYSA-N
MW249.66 g/mol
LogP4.76
Rot. Bonds3

About benzhydryl-chloro-oxophosphanium

benzhydryl-chloro-oxophosphanium (PubChem CID 174729977) has the molecular formula C13H11ClOP+ and a molecular weight of 249.66 g/mol. Its IUPAC name is benzhydryl-chloro-oxophosphanium.

Molecular Properties

Compound Namebenzhydryl-chloro-oxophosphanium
PubChem CID174729977
Molecular FormulaC13H11ClOP+
Molecular Weight249.66 g/mol
Exact Mass249.02
IUPAC Namebenzhydryl-chloro-oxophosphanium
SMILESO=[P+](Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClOP/c14-16(15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/q+1
InChIKeyBOOYVUQLWATKCR-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
dibenzhydryloxy(oxo)phosphanium
CID 57050024
sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
dichloromethylbenzene
CID 7411
calcium;[chloro(phenyl)methyl]benzene;oxido-oxo-phosphooxyphosphanium
CID 88679181
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
CID 136812098
CID 136812098
(Chlorobenzyl)silane
CID 23051080
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
CID 173341084
benzhydryl-methylsulfanyl-sulfanylidenephosphanium
CID 70879703
benzhydryloxy-oxido-oxophosphanium
CID 19805881

Frequently Asked Questions

What is the IUPAC name of benzhydryl-chloro-oxophosphanium?
The IUPAC name of benzhydryl-chloro-oxophosphanium (CID 174729977) is benzhydryl-chloro-oxophosphanium.
What is the SMILES notation for benzhydryl-chloro-oxophosphanium?
The canonical SMILES for benzhydryl-chloro-oxophosphanium is O=[P+](Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-chloro-oxophosphanium?
The InChIKey is BOOYVUQLWATKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOP/c14-16(15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H/q+1.
What are the key properties of benzhydryl-chloro-oxophosphanium?
benzhydryl-chloro-oxophosphanium has a molecular weight of 249.66 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-chloro-oxophosphanium is sourced from PubChem (CID 174729977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).