diethyl (4-formylphenyl) phosphate

C11H15O5P — CID 10539111

IUPACdiethyl (4-formylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(C=O)cc1
InChIInChI=1S/C11H15O5P/c1-3-14-17(13,15-4-2)16-11-7-5-10(9-12)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeyCNLFXAFCSHVWGT-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.06
Rot. Bonds7

About diethyl (4-formylphenyl) phosphate

diethyl (4-formylphenyl) phosphate (PubChem CID 10539111) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is diethyl (4-formylphenyl) phosphate.

Molecular Properties

Compound Namediethyl (4-formylphenyl) phosphate
PubChem CID10539111
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Namediethyl (4-formylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(C=O)cc1
InChIInChI=1S/C11H15O5P/c1-3-14-17(13,15-4-2)16-11-7-5-10(9-12)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeyCNLFXAFCSHVWGT-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(diethylamino)phosphoryloxy]benzaldehyde
CID 59365470
4-[(1R)-1-amino-1-diethoxyphosphorylethoxy]benzaldehyde
CID 171191870
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
diethyl [4-formyl-2-(trifluoromethyl)phenyl] phosphate
CID 153436835
4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide
CID 163180334
(4-diethoxyphosphoryloxyphenyl)methyl carbonochloridate
CID 131976846
(4-chloro-3-methylphenyl) diethyl phosphate
CID 118592997
2,1,3-benzoxadiazol-5-yl diethyl phosphate
CID 154381505
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472
(3-aminophenyl) diethyl phosphate
CID 86127632
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of diethyl (4-formylphenyl) phosphate?
The IUPAC name of diethyl (4-formylphenyl) phosphate (CID 10539111) is diethyl (4-formylphenyl) phosphate.
What is the SMILES notation for diethyl (4-formylphenyl) phosphate?
The canonical SMILES for diethyl (4-formylphenyl) phosphate is CCOP(=O)(OCC)Oc1ccc(C=O)cc1.
What is the InChIKey of diethyl (4-formylphenyl) phosphate?
The InChIKey is CNLFXAFCSHVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-3-14-17(13,15-4-2)16-11-7-5-10(9-12)6-8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl (4-formylphenyl) phosphate?
diethyl (4-formylphenyl) phosphate has a molecular weight of 258.21 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4-formylphenyl) phosphate is sourced from PubChem (CID 10539111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).