(2-dimethoxyphosphoryl-1-phenylpropyl) acetate

C13H19O5P — CID 122399816

IUPAC(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
SMILESCOP(=O)(OC)C(C)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19O5P/c1-10(19(15,16-3)17-4)13(18-11(2)14)12-8-6-5-7-9-12/h5-10,13H,1-4H3
InChIKeyMMPAWPLNPUZDBY-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.17
Rot. Bonds6

About (2-dimethoxyphosphoryl-1-phenylpropyl) acetate

(2-dimethoxyphosphoryl-1-phenylpropyl) acetate (PubChem CID 122399816) has the molecular formula C13H19O5P and a molecular weight of 286.26 g/mol. Its IUPAC name is (2-dimethoxyphosphoryl-1-phenylpropyl) acetate.

Molecular Properties

Compound Name(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
PubChem CID122399816
Molecular FormulaC13H19O5P
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
SMILESCOP(=O)(OC)C(C)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H19O5P/c1-10(19(15,16-3)17-4)13(18-11(2)14)12-8-6-5-7-9-12/h5-10,13H,1-4H3
InChIKeyMMPAWPLNPUZDBY-UHFFFAOYSA-N
XLogP3.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707
[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
CID 15447334
(1-acetyloxy-1-phenylpropan-2-yl)-trimethylazanium
CID 24833445
(2-bromo-1,2-diphenylethyl) acetate
CID 13129278
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
[(1S,2R)-3,3,3-trifluoro-1,2-diphenylpropyl] acetate
CID 164670469
[(1R,2R)-2-acetyloxy-1-cyano-2-phenylethyl] acetate
CID 102481270
(2-methyl-1-phenylpent-4-enyl) acetate
CID 171782588
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892

Frequently Asked Questions

What is the IUPAC name of (2-dimethoxyphosphoryl-1-phenylpropyl) acetate?
The IUPAC name of (2-dimethoxyphosphoryl-1-phenylpropyl) acetate (CID 122399816) is (2-dimethoxyphosphoryl-1-phenylpropyl) acetate.
What is the SMILES notation for (2-dimethoxyphosphoryl-1-phenylpropyl) acetate?
The canonical SMILES for (2-dimethoxyphosphoryl-1-phenylpropyl) acetate is COP(=O)(OC)C(C)C(OC(C)=O)c1ccccc1.
What is the InChIKey of (2-dimethoxyphosphoryl-1-phenylpropyl) acetate?
The InChIKey is MMPAWPLNPUZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O5P/c1-10(19(15,16-3)17-4)13(18-11(2)14)12-8-6-5-7-9-12/h5-10,13H,1-4H3.
What are the key properties of (2-dimethoxyphosphoryl-1-phenylpropyl) acetate?
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate has a molecular weight of 286.26 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethoxyphosphoryl-1-phenylpropyl) acetate is sourced from PubChem (CID 122399816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).