ethyl oxiran-2-yl phenyl phosphate;prop-1-ene

C13H19O5P — CID 157494084

IUPACethyl oxiran-2-yl phenyl phosphate;prop-1-ene
SMILESC=CC.CCOP(=O)(Oc1ccccc1)OC1CO1
InChIInChI=1S/C10H13O5P.C3H6/c1-2-13-16(11,15-10-8-12-10)14-9-6-4-3-5-7-9;1-3-2/h3-7,10H,2,8H2,1H3;3H,1H2,2H3
InChIKeyBXPQTSJZKKCOFP-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.78
Rot. Bonds6

About ethyl oxiran-2-yl phenyl phosphate;prop-1-ene

ethyl oxiran-2-yl phenyl phosphate;prop-1-ene (PubChem CID 157494084) has the molecular formula C13H19O5P and a molecular weight of 286.26 g/mol. Its IUPAC name is ethyl oxiran-2-yl phenyl phosphate;prop-1-ene.

Molecular Properties

Compound Nameethyl oxiran-2-yl phenyl phosphate;prop-1-ene
PubChem CID157494084
Molecular FormulaC13H19O5P
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Nameethyl oxiran-2-yl phenyl phosphate;prop-1-ene
SMILESC=CC.CCOP(=O)(Oc1ccccc1)OC1CO1
InChIInChI=1S/C10H13O5P.C3H6/c1-2-13-16(11,15-10-8-12-10)14-9-6-4-3-5-7-9;1-3-2/h3-7,10H,2,8H2,1H3;3H,1H2,2H3
InChIKeyBXPQTSJZKKCOFP-UHFFFAOYSA-N
XLogP3.78
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl oxiran-2-yl phenyl phosphate;prop-1-ene?
The IUPAC name of ethyl oxiran-2-yl phenyl phosphate;prop-1-ene (CID 157494084) is ethyl oxiran-2-yl phenyl phosphate;prop-1-ene.
What is the SMILES notation for ethyl oxiran-2-yl phenyl phosphate;prop-1-ene?
The canonical SMILES for ethyl oxiran-2-yl phenyl phosphate;prop-1-ene is C=CC.CCOP(=O)(Oc1ccccc1)OC1CO1.
What is the InChIKey of ethyl oxiran-2-yl phenyl phosphate;prop-1-ene?
The InChIKey is BXPQTSJZKKCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O5P.C3H6/c1-2-13-16(11,15-10-8-12-10)14-9-6-4-3-5-7-9;1-3-2/h3-7,10H,2,8H2,1H3;3H,1H2,2H3.
What are the key properties of ethyl oxiran-2-yl phenyl phosphate;prop-1-ene?
ethyl oxiran-2-yl phenyl phosphate;prop-1-ene has a molecular weight of 286.26 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl oxiran-2-yl phenyl phosphate;prop-1-ene is sourced from PubChem (CID 157494084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).