dibenzyl 1-phenylpropan-2-yl phosphate

C23H25O4P — CID 74765986

IUPACdibenzyl 1-phenylpropan-2-yl phosphate
SMILESCC(Cc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H25O4P/c1-20(17-21-11-5-2-6-12-21)27-28(24,25-18-22-13-7-3-8-14-22)26-19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyJJWCVFXDSLZJSS-UHFFFAOYSA-N
MW396.42 g/mol
LogP6.18
Rot. Bonds10

About dibenzyl 1-phenylpropan-2-yl phosphate

dibenzyl 1-phenylpropan-2-yl phosphate (PubChem CID 74765986) has the molecular formula C23H25O4P and a molecular weight of 396.42 g/mol. Its IUPAC name is dibenzyl 1-phenylpropan-2-yl phosphate.

Molecular Properties

Compound Namedibenzyl 1-phenylpropan-2-yl phosphate
PubChem CID74765986
Molecular FormulaC23H25O4P
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Namedibenzyl 1-phenylpropan-2-yl phosphate
SMILESCC(Cc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H25O4P/c1-20(17-21-11-5-2-6-12-21)27-28(24,25-18-22-13-7-3-8-14-22)26-19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyJJWCVFXDSLZJSS-UHFFFAOYSA-N
XLogP6.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dibenzyl 1-phenylpropan-2-yl 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 1-phenylpropan-2-yl phosphate?
The IUPAC name of dibenzyl 1-phenylpropan-2-yl phosphate (CID 74765986) is dibenzyl 1-phenylpropan-2-yl phosphate.
What is the SMILES notation for dibenzyl 1-phenylpropan-2-yl phosphate?
The canonical SMILES for dibenzyl 1-phenylpropan-2-yl phosphate is CC(Cc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 1-phenylpropan-2-yl phosphate?
The InChIKey is JJWCVFXDSLZJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O4P/c1-20(17-21-11-5-2-6-12-21)27-28(24,25-18-22-13-7-3-8-14-22)26-19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3.
What are the key properties of dibenzyl 1-phenylpropan-2-yl phosphate?
dibenzyl 1-phenylpropan-2-yl phosphate has a molecular weight of 396.42 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 1-phenylpropan-2-yl phosphate is sourced from PubChem (CID 74765986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).