[dimethoxyphosphoryl(phenyl)methyl] acetate

C11H15O5P — CID 10923196

IUPAC[dimethoxyphosphoryl(phenyl)methyl] acetate
SMILESCOP(=O)(OC)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H15O5P/c1-9(12)16-11(17(13,14-2)15-3)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyQAWIILZTMNAROB-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.73
Rot. Bonds5

About [dimethoxyphosphoryl(phenyl)methyl] acetate

[dimethoxyphosphoryl(phenyl)methyl] acetate (PubChem CID 10923196) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is [dimethoxyphosphoryl(phenyl)methyl] acetate.

Molecular Properties

Compound Name[dimethoxyphosphoryl(phenyl)methyl] acetate
PubChem CID10923196
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name[dimethoxyphosphoryl(phenyl)methyl] acetate
SMILESCOP(=O)(OC)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H15O5P/c1-9(12)16-11(17(13,14-2)15-3)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyQAWIILZTMNAROB-UHFFFAOYSA-N
XLogP2.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [dimethoxyphosphoryl(phenyl)methyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
CID 15447334
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
benzhydryl acetate;hydrazine
CID 122610283
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
bis[(4-chlorophenyl)-dimethoxyphosphorylmethyl] pyridine-2,6-dicarboxylate
CID 46237200
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
CID 11737708
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[dimethoxyphosphoryl(nitroso)methyl]benzene
CID 56977499

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl(phenyl)methyl] acetate?
The IUPAC name of [dimethoxyphosphoryl(phenyl)methyl] acetate (CID 10923196) is [dimethoxyphosphoryl(phenyl)methyl] acetate.
What is the SMILES notation for [dimethoxyphosphoryl(phenyl)methyl] acetate?
The canonical SMILES for [dimethoxyphosphoryl(phenyl)methyl] acetate is COP(=O)(OC)C(OC(C)=O)c1ccccc1.
What is the InChIKey of [dimethoxyphosphoryl(phenyl)methyl] acetate?
The InChIKey is QAWIILZTMNAROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-9(12)16-11(17(13,14-2)15-3)10-7-5-4-6-8-10/h4-8,11H,1-3H3.
What are the key properties of [dimethoxyphosphoryl(phenyl)methyl] acetate?
[dimethoxyphosphoryl(phenyl)methyl] acetate has a molecular weight of 258.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl(phenyl)methyl] acetate is sourced from PubChem (CID 10923196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).