(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol

C10H13Cl2O4P — CID 125471562

IUPAC(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol
SMILESCOP(=O)(OC)[C@@](C)(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2O4P/c1-10(13,17(14,15-2)16-3)8-5-4-7(11)6-9(8)12/h4-6,13H,1-3H3/t10-/m1/s1
InChIKeyJOPWPYFFGFVYOU-SNVBAGLBSA-N
MW299.09 g/mol
LogP3.64
Rot. Bonds4

About (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol

(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol (PubChem CID 125471562) has the molecular formula C10H13Cl2O4P and a molecular weight of 299.09 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol
PubChem CID125471562
Molecular FormulaC10H13Cl2O4P
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol
SMILESCOP(=O)(OC)[C@@](C)(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2O4P/c1-10(13,17(14,15-2)16-3)8-5-4-7(11)6-9(8)12/h4-6,13H,1-3H3/t10-/m1/s1
InChIKeyJOPWPYFFGFVYOU-SNVBAGLBSA-N
XLogP3.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.64
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 (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol (CID 125471562) is (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol is COP(=O)(OC)[C@@](C)(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol?
The InChIKey is JOPWPYFFGFVYOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13Cl2O4P/c1-10(13,17(14,15-2)16-3)8-5-4-7(11)6-9(8)12/h4-6,13H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol?
(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol has a molecular weight of 299.09 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol is sourced from PubChem (CID 125471562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).