phenyl phosphono prop-2-enyl phosphate

C9H12O7P2 — CID 88721079

IUPACphenyl phosphono prop-2-enyl phosphate
SMILESC=CCOP(=O)(Oc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C9H12O7P2/c1-2-8-14-18(13,16-17(10,11)12)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,10,11,12)
InChIKeyFRIOYYJXLKTAJI-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.49
Rot. Bonds7

About phenyl phosphono prop-2-enyl phosphate

phenyl phosphono prop-2-enyl phosphate (PubChem CID 88721079) has the molecular formula C9H12O7P2 and a molecular weight of 294.14 g/mol. Its IUPAC name is phenyl phosphono prop-2-enyl phosphate.

Molecular Properties

Compound Namephenyl phosphono prop-2-enyl phosphate
PubChem CID88721079
Molecular FormulaC9H12O7P2
Molecular Weight294.14 g/mol
Exact Mass294.01
IUPAC Namephenyl phosphono prop-2-enyl phosphate
SMILESC=CCOP(=O)(Oc1ccccc1)OP(=O)(O)O
InChIInChI=1S/C9H12O7P2/c1-2-8-14-18(13,16-17(10,11)12)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,10,11,12)
InChIKeyFRIOYYJXLKTAJI-UHFFFAOYSA-N
XLogP2.49
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl phenyl phosphono phosphate
CID 150753839
octadecyl phenyl phosphono phosphate
CID 174802974
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
phosphoric acid;prop-2-enoxybenzene
CID 66665136
methane;phenyl phosphono hydrogen phosphate
CID 88820079
bis(ethenyl) phenyl phosphate
CID 22119346
benzyl ethenyl phosphono phosphate
CID 138678243
CID 131875092
CID 131875092
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926

Frequently Asked Questions

What is the IUPAC name of phenyl phosphono prop-2-enyl phosphate?
The IUPAC name of phenyl phosphono prop-2-enyl phosphate (CID 88721079) is phenyl phosphono prop-2-enyl phosphate.
What is the SMILES notation for phenyl phosphono prop-2-enyl phosphate?
The canonical SMILES for phenyl phosphono prop-2-enyl phosphate is C=CCOP(=O)(Oc1ccccc1)OP(=O)(O)O.
What is the InChIKey of phenyl phosphono prop-2-enyl phosphate?
The InChIKey is FRIOYYJXLKTAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O7P2/c1-2-8-14-18(13,16-17(10,11)12)15-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,10,11,12).
What are the key properties of phenyl phosphono prop-2-enyl phosphate?
phenyl phosphono prop-2-enyl phosphate has a molecular weight of 294.14 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl phosphono prop-2-enyl phosphate is sourced from PubChem (CID 88721079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).