benzyl bis(ethenyl) phosphate

C11H13O4P — CID 141056267

IUPACbenzyl bis(ethenyl) phosphate
SMILESC=COP(=O)(OC=C)OCc1ccccc1
InChIInChI=1S/C11H13O4P/c1-3-13-16(12,14-4-2)15-10-11-8-6-5-7-9-11/h3-9H,1-2,10H2
InChIKeyPANFEZYRVQWIRJ-UHFFFAOYSA-N
MW240.20 g/mol
LogP3.63
Rot. Bonds7

About benzyl bis(ethenyl) phosphate

benzyl bis(ethenyl) phosphate (PubChem CID 141056267) has the molecular formula C11H13O4P and a molecular weight of 240.20 g/mol. Its IUPAC name is benzyl bis(ethenyl) phosphate.

Molecular Properties

Compound Namebenzyl bis(ethenyl) phosphate
PubChem CID141056267
Molecular FormulaC11H13O4P
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Namebenzyl bis(ethenyl) phosphate
SMILESC=COP(=O)(OC=C)OCc1ccccc1
InChIInChI=1S/C11H13O4P/c1-3-13-16(12,14-4-2)15-10-11-8-6-5-7-9-11/h3-9H,1-2,10H2
InChIKeyPANFEZYRVQWIRJ-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl ethenyl phosphono phosphate
CID 138678243
[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
CID 174418871
bis(ethenyl) phenyl phosphate
CID 22119346
dibenzyl 2-(but-3-enylamino)ethyl phosphate
CID 142745634
dibenzyl chloromethyl phosphate;ethane
CID 144742868
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
dibenzyl benzylperoxymethyl phosphate
CID 138564478
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
CID 142823878
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404

Frequently Asked Questions

What is the IUPAC name of benzyl bis(ethenyl) phosphate?
The IUPAC name of benzyl bis(ethenyl) phosphate (CID 141056267) is benzyl bis(ethenyl) phosphate.
What is the SMILES notation for benzyl bis(ethenyl) phosphate?
The canonical SMILES for benzyl bis(ethenyl) phosphate is C=COP(=O)(OC=C)OCc1ccccc1.
What is the InChIKey of benzyl bis(ethenyl) phosphate?
The InChIKey is PANFEZYRVQWIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4P/c1-3-13-16(12,14-4-2)15-10-11-8-6-5-7-9-11/h3-9H,1-2,10H2.
What are the key properties of benzyl bis(ethenyl) phosphate?
benzyl bis(ethenyl) phosphate has a molecular weight of 240.20 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl bis(ethenyl) phosphate is sourced from PubChem (CID 141056267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).