dibenzyl phosphate

C14H14O4P- — CID 4193600

IUPACdibenzyl phosphate
SMILESO=P([O-])(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)/p-1
InChIKeyHDFFVHSMHLDSLO-UHFFFAOYSA-M
MW277.24 g/mol
LogP2.89
Rot. Bonds6

About dibenzyl phosphate

dibenzyl phosphate (PubChem CID 4193600) has the molecular formula C14H14O4P- and a molecular weight of 277.24 g/mol. Its IUPAC name is dibenzyl phosphate.

Molecular Properties

Compound Namedibenzyl phosphate
PubChem CID4193600
Molecular FormulaC14H14O4P-
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Namedibenzyl phosphate
SMILESO=P([O-])(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)/p-1
InChIKeyHDFFVHSMHLDSLO-UHFFFAOYSA-M
XLogP2.89
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dibenzyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibenzyl phosphate?
The IUPAC name of dibenzyl phosphate (CID 4193600) is dibenzyl phosphate.
What is the SMILES notation for dibenzyl phosphate?
The canonical SMILES for dibenzyl phosphate is O=P([O-])(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl phosphate?
The InChIKey is HDFFVHSMHLDSLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)/p-1.
What are the key properties of dibenzyl phosphate?
dibenzyl phosphate has a molecular weight of 277.24 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl phosphate is sourced from PubChem (CID 4193600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).