[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate

C13H15O5P — CID 87262005

IUPAC[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C13H15O5P/c1-10(2)13(14)18-19(16-9-12-8-15-12)17-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKeyPCSSOTIVMPAPLU-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.83
Rot. Bonds7

About [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate

[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate (PubChem CID 87262005) has the molecular formula C13H15O5P and a molecular weight of 282.23 g/mol. Its IUPAC name is [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate
PubChem CID87262005
Molecular FormulaC13H15O5P
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(OCC1CO1)Oc1ccccc1
InChIInChI=1S/C13H15O5P/c1-10(2)13(14)18-19(16-9-12-8-15-12)17-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKeyPCSSOTIVMPAPLU-UHFFFAOYSA-N
XLogP2.83
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.83
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate?
The IUPAC name of [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate (CID 87262005) is [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate?
The canonical SMILES for [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OP(OCC1CO1)Oc1ccccc1.
What is the InChIKey of [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate?
The InChIKey is PCSSOTIVMPAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O5P/c1-10(2)13(14)18-19(16-9-12-8-15-12)17-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3.
What are the key properties of [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate?
[oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate has a molecular weight of 282.23 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [oxiran-2-ylmethoxy(phenoxy)phosphanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87262005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).