(dibenzylamino) phenyl hydrogen phosphate

C20H20NO4P — CID 23023266

IUPAC(dibenzylamino) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyGVVSODLTIDBHNR-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.80
Rot. Bonds8

About (dibenzylamino) phenyl hydrogen phosphate

(dibenzylamino) phenyl hydrogen phosphate (PubChem CID 23023266) has the molecular formula C20H20NO4P and a molecular weight of 369.36 g/mol. Its IUPAC name is (dibenzylamino) phenyl hydrogen phosphate.

Molecular Properties

Compound Name(dibenzylamino) phenyl hydrogen phosphate
PubChem CID23023266
Molecular FormulaC20H20NO4P
Molecular Weight369.36 g/mol
Exact Mass369.11
IUPAC Name(dibenzylamino) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyGVVSODLTIDBHNR-UHFFFAOYSA-N
XLogP4.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
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 (dibenzylamino) phenyl hydrogen phosphate?
The IUPAC name of (dibenzylamino) phenyl hydrogen phosphate (CID 23023266) is (dibenzylamino) phenyl hydrogen phosphate.
What is the SMILES notation for (dibenzylamino) phenyl hydrogen phosphate?
The canonical SMILES for (dibenzylamino) phenyl hydrogen phosphate is O=P(O)(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (dibenzylamino) phenyl hydrogen phosphate?
The InChIKey is GVVSODLTIDBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23).
What are the key properties of (dibenzylamino) phenyl hydrogen phosphate?
(dibenzylamino) phenyl hydrogen phosphate has a molecular weight of 369.36 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dibenzylamino) phenyl hydrogen phosphate is sourced from PubChem (CID 23023266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).