dibenzylphosphorylmethanol

C15H17O2P — CID 796955

IUPACdibenzylphosphorylmethanol
SMILESO=P(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17O2P/c16-13-18(17,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyOVIFTKWPIZLZSG-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.70
Rot. Bonds5

About dibenzylphosphorylmethanol

dibenzylphosphorylmethanol (PubChem CID 796955) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is dibenzylphosphorylmethanol.

Molecular Properties

Compound Namedibenzylphosphorylmethanol
PubChem CID796955
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namedibenzylphosphorylmethanol
SMILESO=P(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17O2P/c16-13-18(17,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyOVIFTKWPIZLZSG-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzylphosphorylmethanol?
The IUPAC name of dibenzylphosphorylmethanol (CID 796955) is dibenzylphosphorylmethanol.
What is the SMILES notation for dibenzylphosphorylmethanol?
The canonical SMILES for dibenzylphosphorylmethanol is O=P(CO)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzylphosphorylmethanol?
The InChIKey is OVIFTKWPIZLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c16-13-18(17,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of dibenzylphosphorylmethanol?
dibenzylphosphorylmethanol has a molecular weight of 260.27 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylphosphorylmethanol is sourced from PubChem (CID 796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).