(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate

C17H30O7P2 — CID 10454120

IUPAC(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(CCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H30O7P2/c1-5-20-25(18,21-6-2)17(15-14-16-12-10-9-11-13-16)24-26(19,22-7-3)23-8-4/h9-13,17H,5-8,14-15H2,1-4H3
InChIKeyQWULJQFVYCZTFZ-UHFFFAOYSA-N
MW408.37 g/mol
LogP5.41
Rot. Bonds14

About (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate

(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate (PubChem CID 10454120) has the molecular formula C17H30O7P2 and a molecular weight of 408.37 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
PubChem CID10454120
Molecular FormulaC17H30O7P2
Molecular Weight408.37 g/mol
Exact Mass408.15
IUPAC Name(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(CCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H30O7P2/c1-5-20-25(18,21-6-2)17(15-14-16-12-10-9-11-13-16)24-26(19,22-7-3)23-8-4/h9-13,17H,5-8,14-15H2,1-4H3
InChIKeyQWULJQFVYCZTFZ-UHFFFAOYSA-N
XLogP5.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
(1-diethoxyphosphoryl-2-phenylsulfanylethyl) diethyl phosphate
CID 11683306
diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
CID 164683915
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637256
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
2-diethoxyphosphorylethylbenzene
CID 3448525
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
CID 20683659
bis(diethoxyphosphoryl)methylbenzene
CID 11132243

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate?
The IUPAC name of (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate (CID 10454120) is (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate.
What is the SMILES notation for (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate?
The canonical SMILES for (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate is CCOP(=O)(OCC)OC(CCc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate?
The InChIKey is QWULJQFVYCZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O7P2/c1-5-20-25(18,21-6-2)17(15-14-16-12-10-9-11-13-16)24-26(19,22-7-3)23-8-4/h9-13,17H,5-8,14-15H2,1-4H3.
What are the key properties of (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate?
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate has a molecular weight of 408.37 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate is sourced from PubChem (CID 10454120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).