[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate

C12H15O5P — CID 174418871

IUPAC[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OCC)OCc1ccccc1
InChIInChI=1S/C12H15O5P/c1-3-12(13)17-18(14,15-4-2)16-10-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3
InChIKeyAVJGJEKDGOWTRS-UHFFFAOYSA-N
MW270.22 g/mol
LogP3.08
Rot. Bonds7

About [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate

[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate (PubChem CID 174418871) has the molecular formula C12H15O5P and a molecular weight of 270.22 g/mol. Its IUPAC name is [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate.

Molecular Properties

Compound Name[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
PubChem CID174418871
Molecular FormulaC12H15O5P
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OCC)OCc1ccccc1
InChIInChI=1S/C12H15O5P/c1-3-12(13)17-18(14,15-4-2)16-10-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3
InChIKeyAVJGJEKDGOWTRS-UHFFFAOYSA-N
XLogP3.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl ethyl methyl phosphate
CID 152677778
benzyl bis(ethenyl) phosphate
CID 141056267
benzyl 2-diethoxyphosphoryloxypent-4-enoate
CID 102108572
benzyl ethenyl phosphono phosphate
CID 138678243
diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
CID 134865341
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
[3-(diethoxyphosphoryloxymethyl)phenyl] acetate
CID 57391514
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate?
The IUPAC name of [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate (CID 174418871) is [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate.
What is the SMILES notation for [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate?
The canonical SMILES for [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate is C=CC(=O)OP(=O)(OCC)OCc1ccccc1.
What is the InChIKey of [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate?
The InChIKey is AVJGJEKDGOWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O5P/c1-3-12(13)17-18(14,15-4-2)16-10-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3.
What are the key properties of [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate?
[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate has a molecular weight of 270.22 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate is sourced from PubChem (CID 174418871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).