benzhydryl-(diethylaminooxy)-dihydroxyphosphanium

C17H23NO3P+ — CID 174479716

IUPACbenzhydryl-(diethylaminooxy)-dihydroxyphosphanium
SMILESCCN(CC)O[P+](O)(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H23NO3P/c1-3-18(4-2)21-22(19,20)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17,19-20H,3-4H2,1-2H3/q+1
InChIKeyMYHPPNZCCMONTK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.80
Rot. Bonds7

About benzhydryl-(diethylaminooxy)-dihydroxyphosphanium

benzhydryl-(diethylaminooxy)-dihydroxyphosphanium (PubChem CID 174479716) has the molecular formula C17H23NO3P+ and a molecular weight of 320.35 g/mol. Its IUPAC name is benzhydryl-(diethylaminooxy)-dihydroxyphosphanium.

Molecular Properties

Compound Namebenzhydryl-(diethylaminooxy)-dihydroxyphosphanium
PubChem CID174479716
Molecular FormulaC17H23NO3P+
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namebenzhydryl-(diethylaminooxy)-dihydroxyphosphanium
SMILESCCN(CC)O[P+](O)(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H23NO3P/c1-3-18(4-2)21-22(19,20)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17,19-20H,3-4H2,1-2H3/q+1
InChIKeyMYHPPNZCCMONTK-UHFFFAOYSA-N
XLogP3.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydryl-(diethylaminooxy)-dihydroxyphosphanium?
The IUPAC name of benzhydryl-(diethylaminooxy)-dihydroxyphosphanium (CID 174479716) is benzhydryl-(diethylaminooxy)-dihydroxyphosphanium.
What is the SMILES notation for benzhydryl-(diethylaminooxy)-dihydroxyphosphanium?
The canonical SMILES for benzhydryl-(diethylaminooxy)-dihydroxyphosphanium is CCN(CC)O[P+](O)(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-(diethylaminooxy)-dihydroxyphosphanium?
The InChIKey is MYHPPNZCCMONTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3P/c1-3-18(4-2)21-22(19,20)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17,19-20H,3-4H2,1-2H3/q+1.
What are the key properties of benzhydryl-(diethylaminooxy)-dihydroxyphosphanium?
benzhydryl-(diethylaminooxy)-dihydroxyphosphanium has a molecular weight of 320.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-(diethylaminooxy)-dihydroxyphosphanium is sourced from PubChem (CID 174479716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).