(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol

C12H17O4P — CID 11414185

IUPAC(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol
SMILESCOP(=O)(OC)[C@@H](O)/C(C)=C/c1ccccc1
InChIInChI=1S/C12H17O4P/c1-10(9-11-7-5-4-6-8-11)12(13)17(14,15-2)16-3/h4-9,12-13H,1-3H3/b10-9+/t12-/m1/s1
InChIKeyQXNQPUAZTYUBGE-BZYZDCJZSA-N
MW256.24 g/mol
LogP2.89
Rot. Bonds5

About (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol

(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol (PubChem CID 11414185) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol
PubChem CID11414185
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol
SMILESCOP(=O)(OC)[C@@H](O)/C(C)=C/c1ccccc1
InChIInChI=1S/C12H17O4P/c1-10(9-11-7-5-4-6-8-11)12(13)17(14,15-2)16-3/h4-9,12-13H,1-3H3/b10-9+/t12-/m1/s1
InChIKeyQXNQPUAZTYUBGE-BZYZDCJZSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol?
The IUPAC name of (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol (CID 11414185) is (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol is COP(=O)(OC)[C@@H](O)/C(C)=C/c1ccccc1.
What is the InChIKey of (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol?
The InChIKey is QXNQPUAZTYUBGE-BZYZDCJZSA-N. The full InChI is InChI=1S/C12H17O4P/c1-10(9-11-7-5-4-6-8-11)12(13)17(14,15-2)16-3/h4-9,12-13H,1-3H3/b10-9+/t12-/m1/s1.
What are the key properties of (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol?
(E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol has a molecular weight of 256.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 11414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).