bis(prop-2-enoxy)phosphorylmethylbenzene

C13H17O3P — CID 3057415

IUPACbis(prop-2-enoxy)phosphorylmethylbenzene
SMILESC=CCOP(=O)(Cc1ccccc1)OCC=C
InChIInChI=1S/C13H17O3P/c1-3-10-15-17(14,16-11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyIKQAFKAZFYQHEL-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.78
Rot. Bonds8

About bis(prop-2-enoxy)phosphorylmethylbenzene

bis(prop-2-enoxy)phosphorylmethylbenzene (PubChem CID 3057415) has the molecular formula C13H17O3P and a molecular weight of 252.25 g/mol. Its IUPAC name is bis(prop-2-enoxy)phosphorylmethylbenzene.

Molecular Properties

Compound Namebis(prop-2-enoxy)phosphorylmethylbenzene
PubChem CID3057415
Molecular FormulaC13H17O3P
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Namebis(prop-2-enoxy)phosphorylmethylbenzene
SMILESC=CCOP(=O)(Cc1ccccc1)OCC=C
InChIInChI=1S/C13H17O3P/c1-3-10-15-17(14,16-11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyIKQAFKAZFYQHEL-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enoxy)phosphorylmethylbenzene?
The IUPAC name of bis(prop-2-enoxy)phosphorylmethylbenzene (CID 3057415) is bis(prop-2-enoxy)phosphorylmethylbenzene.
What is the SMILES notation for bis(prop-2-enoxy)phosphorylmethylbenzene?
The canonical SMILES for bis(prop-2-enoxy)phosphorylmethylbenzene is C=CCOP(=O)(Cc1ccccc1)OCC=C.
What is the InChIKey of bis(prop-2-enoxy)phosphorylmethylbenzene?
The InChIKey is IKQAFKAZFYQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O3P/c1-3-10-15-17(14,16-11-4-2)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of bis(prop-2-enoxy)phosphorylmethylbenzene?
bis(prop-2-enoxy)phosphorylmethylbenzene has a molecular weight of 252.25 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoxy)phosphorylmethylbenzene is sourced from PubChem (CID 3057415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).