[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate

C13H17O6P — CID 71682922

IUPAC[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
SMILESCOC(=O)O[C@@H](/C=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H17O6P/c1-16-13(14)19-12(20(15,17-2)18-3)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+/t12-/m1/s1
InChIKeyXWFIADOVHUSPHI-BZYZDCJZSA-N
MW300.25 g/mol
LogP3.29
Rot. Bonds6

About [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate

[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate (PubChem CID 71682922) has the molecular formula C13H17O6P and a molecular weight of 300.25 g/mol. Its IUPAC name is [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
PubChem CID71682922
Molecular FormulaC13H17O6P
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
SMILESCOC(=O)O[C@@H](/C=C/c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H17O6P/c1-16-13(14)19-12(20(15,17-2)18-3)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+/t12-/m1/s1
InChIKeyXWFIADOVHUSPHI-BZYZDCJZSA-N
XLogP3.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
CID 15447341
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
(E)-1-dimethoxyphosphoryl-3-phenyl-N-prop-2-enylprop-2-en-1-amine
CID 11616138
[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
CID 11150092
(Z)-3-phenyl-N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)prop-2-enamide
CID 21177407
3-phenyl-N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)prop-2-enamide
CID 5049982
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
CID 11437437
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate?
The IUPAC name of [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate (CID 71682922) is [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate.
What is the SMILES notation for [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate?
The canonical SMILES for [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate is COC(=O)O[C@@H](/C=C/c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate?
The InChIKey is XWFIADOVHUSPHI-BZYZDCJZSA-N. The full InChI is InChI=1S/C13H17O6P/c1-16-13(14)19-12(20(15,17-2)18-3)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+/t12-/m1/s1.
What are the key properties of [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate?
[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate has a molecular weight of 300.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate is sourced from PubChem (CID 71682922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).