2-[benzyl(oxiran-2-yl)phosphoryl]oxirane

C11H13O3P — CID 88594706

IUPAC2-[benzyl(oxiran-2-yl)phosphoryl]oxirane
SMILESO=P(Cc1ccccc1)(C1CO1)C1CO1
InChIInChI=1S/C11H13O3P/c12-15(10-6-13-10,11-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyXASAKJVASXSWPM-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.26
Rot. Bonds4

About 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane

2-[benzyl(oxiran-2-yl)phosphoryl]oxirane (PubChem CID 88594706) has the molecular formula C11H13O3P and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane.

Molecular Properties

Compound Name2-[benzyl(oxiran-2-yl)phosphoryl]oxirane
PubChem CID88594706
Molecular FormulaC11H13O3P
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Name2-[benzyl(oxiran-2-yl)phosphoryl]oxirane
SMILESO=P(Cc1ccccc1)(C1CO1)C1CO1
InChIInChI=1S/C11H13O3P/c12-15(10-6-13-10,11-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyXASAKJVASXSWPM-UHFFFAOYSA-N
XLogP2.26
TPSA42.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane with MolForge

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

Launch Full Analysis

Related Compounds

CID 23340127
CID 23340127
2-[benzyl(carboxymethyl)phosphoryl]acetic acid
CID 67745759
[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
CID 153280955
2-dibenzylphosphorylacetate
CID 6989384
2-benzyl-1,4-dioxane
CID 12910406
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
bis([benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene);dichloroiron;palladium(2+)
CID 162768494
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
ethane;4-phenylmethoxyoxolan-2-one
CID 143867154

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane?
The IUPAC name of 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane (CID 88594706) is 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane.
What is the SMILES notation for 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane?
The canonical SMILES for 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane is O=P(Cc1ccccc1)(C1CO1)C1CO1.
What is the InChIKey of 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane?
The InChIKey is XASAKJVASXSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3P/c12-15(10-6-13-10,11-7-14-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane?
2-[benzyl(oxiran-2-yl)phosphoryl]oxirane has a molecular weight of 224.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(oxiran-2-yl)phosphoryl]oxirane is sourced from PubChem (CID 88594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).