4-oxopent-2-en-2-yl diphenyl phosphate

C17H17O5P — CID 71319134

IUPAC4-oxopent-2-en-2-yl diphenyl phosphate
SMILESCC(=O)C=C(C)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H17O5P/c1-14(18)13-15(2)20-23(19,21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyVZNJNQWWOKUSCO-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.76
Rot. Bonds7

About 4-oxopent-2-en-2-yl diphenyl phosphate

4-oxopent-2-en-2-yl diphenyl phosphate (PubChem CID 71319134) has the molecular formula C17H17O5P and a molecular weight of 332.29 g/mol. Its IUPAC name is 4-oxopent-2-en-2-yl diphenyl phosphate.

Molecular Properties

Compound Name4-oxopent-2-en-2-yl diphenyl phosphate
PubChem CID71319134
Molecular FormulaC17H17O5P
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name4-oxopent-2-en-2-yl diphenyl phosphate
SMILESCC(=O)C=C(C)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H17O5P/c1-14(18)13-15(2)20-23(19,21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyVZNJNQWWOKUSCO-UHFFFAOYSA-N
XLogP4.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one
CID 10043329
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tert-butyl N-[2-[(E)-2-diphenoxyphosphoryloxyprop-1-enoxy]ethyl]carbamate
CID 121274883
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
2-methylpropane;triphenyl phosphate
CID 91193965
bis(ethenyl) phenyl phosphate
CID 22119346
diphenoxyphosphoryl 4-ethylbenzoate
CID 175366295
ethenyl methyl phenyl phosphate
CID 11593721
diphenoxyphosphoryl 4-propylbenzoate
CID 175195259
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616

Frequently Asked Questions

What is the IUPAC name of 4-oxopent-2-en-2-yl diphenyl phosphate?
The IUPAC name of 4-oxopent-2-en-2-yl diphenyl phosphate (CID 71319134) is 4-oxopent-2-en-2-yl diphenyl phosphate.
What is the SMILES notation for 4-oxopent-2-en-2-yl diphenyl phosphate?
The canonical SMILES for 4-oxopent-2-en-2-yl diphenyl phosphate is CC(=O)C=C(C)OP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-oxopent-2-en-2-yl diphenyl phosphate?
The InChIKey is VZNJNQWWOKUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O5P/c1-14(18)13-15(2)20-23(19,21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 4-oxopent-2-en-2-yl diphenyl phosphate?
4-oxopent-2-en-2-yl diphenyl phosphate has a molecular weight of 332.29 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopent-2-en-2-yl diphenyl phosphate is sourced from PubChem (CID 71319134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).