ethenyl methyl phenyl phosphate

C9H11O4P — CID 11593721

IUPACethenyl methyl phenyl phosphate
SMILESC=COP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C9H11O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h3-8H,1H2,2H3
InChIKeyWVAYNXLSJVYILV-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.98
Rot. Bonds5

About ethenyl methyl phenyl phosphate

ethenyl methyl phenyl phosphate (PubChem CID 11593721) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is ethenyl methyl phenyl phosphate.

Molecular Properties

Compound Nameethenyl methyl phenyl phosphate
PubChem CID11593721
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Nameethenyl methyl phenyl phosphate
SMILESC=COP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C9H11O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h3-8H,1H2,2H3
InChIKeyWVAYNXLSJVYILV-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.98
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

bis(ethenyl) phenyl phosphate
CID 22119346
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
2-methylpropane;triphenyl phosphate
CID 91193965
[methyl(diphenoxy)-λ5-phosphanylidene]azanide;yttrium
CID 58152781
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
methoxymethyl diphenyl phosphate
CID 18345572
diphenyl silyl phosphate
CID 71371486

Frequently Asked Questions

What is the IUPAC name of ethenyl methyl phenyl phosphate?
The IUPAC name of ethenyl methyl phenyl phosphate (CID 11593721) is ethenyl methyl phenyl phosphate.
What is the SMILES notation for ethenyl methyl phenyl phosphate?
The canonical SMILES for ethenyl methyl phenyl phosphate is C=COP(=O)(OC)Oc1ccccc1.
What is the InChIKey of ethenyl methyl phenyl phosphate?
The InChIKey is WVAYNXLSJVYILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h3-8H,1H2,2H3.
What are the key properties of ethenyl methyl phenyl phosphate?
ethenyl methyl phenyl phosphate has a molecular weight of 214.16 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl methyl phenyl phosphate is sourced from PubChem (CID 11593721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).