1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol

C11H15O4P — CID 88713945

IUPAC1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
SMILESCOP(=O)(OC)C(O)=Cc1ccc(C)cc1
InChIInChI=1S/C11H15O4P/c1-9-4-6-10(7-5-9)8-11(12)16(13,14-2)15-3/h4-8,12H,1-3H3
InChIKeyJBXFUJZCHHNJNQ-UHFFFAOYSA-N
MW242.21 g/mol
LogP3.34
Rot. Bonds4

About 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol

1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol (PubChem CID 88713945) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
PubChem CID88713945
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
SMILESCOP(=O)(OC)C(O)=Cc1ccc(C)cc1
InChIInChI=1S/C11H15O4P/c1-9-4-6-10(7-5-9)8-11(12)16(13,14-2)15-3/h4-8,12H,1-3H3
InChIKeyJBXFUJZCHHNJNQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol?
The IUPAC name of 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol (CID 88713945) is 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol?
The canonical SMILES for 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol is COP(=O)(OC)C(O)=Cc1ccc(C)cc1.
What is the InChIKey of 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol?
The InChIKey is JBXFUJZCHHNJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-9-4-6-10(7-5-9)8-11(12)16(13,14-2)15-3/h4-8,12H,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol?
1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol has a molecular weight of 242.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol is sourced from PubChem (CID 88713945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).