dibenzyl 2-methylpropyl phosphate

C18H23O4P — CID 14826850

IUPACdibenzyl 2-methylpropyl phosphate
SMILESCC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-16(2)13-20-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyFFHIGDYOJQCMDO-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.20
Rot. Bonds9

About dibenzyl 2-methylpropyl phosphate

dibenzyl 2-methylpropyl phosphate (PubChem CID 14826850) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is dibenzyl 2-methylpropyl phosphate.

Molecular Properties

Compound Namedibenzyl 2-methylpropyl phosphate
PubChem CID14826850
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namedibenzyl 2-methylpropyl phosphate
SMILESCC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-16(2)13-20-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyFFHIGDYOJQCMDO-UHFFFAOYSA-N
XLogP5.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzyl 2-methylpropyl phosphate?
The IUPAC name of dibenzyl 2-methylpropyl phosphate (CID 14826850) is dibenzyl 2-methylpropyl phosphate.
What is the SMILES notation for dibenzyl 2-methylpropyl phosphate?
The canonical SMILES for dibenzyl 2-methylpropyl phosphate is CC(C)COP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 2-methylpropyl phosphate?
The InChIKey is FFHIGDYOJQCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-16(2)13-20-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of dibenzyl 2-methylpropyl phosphate?
dibenzyl 2-methylpropyl phosphate has a molecular weight of 334.35 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 2-methylpropyl phosphate is sourced from PubChem (CID 14826850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).