(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol

C11H15O4P — CID 10955724

IUPAC(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/c1ccccc1
InChIInChI=1S/C11H15O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/b9-8+
InChIKeyHWNZVTWKEWAILK-CMDGGOBGSA-N
MW242.21 g/mol
LogP2.50
Rot. Bonds5

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

(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol (PubChem CID 10955724) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol
PubChem CID10955724
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/c1ccccc1
InChIInChI=1S/C11H15O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/b9-8+
InChIKeyHWNZVTWKEWAILK-CMDGGOBGSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.50
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)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol (CID 10955724) is (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol is COP(=O)(OC)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol?
The InChIKey is HWNZVTWKEWAILK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/b9-8+.
What are the key properties of (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol?
(E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol has a molecular weight of 242.21 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 10955724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).