1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

C10H11Cl2O4P — CID 3039062

IUPAC1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate
SMILESC=C(OP(=O)(OC)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2O4P/c1-7(16-17(13,14-2)15-3)9-5-4-8(11)6-10(9)12/h4-6H,1H2,2-3H3
InChIKeyXVBTXHSXCGERSU-UHFFFAOYSA-N
MW297.07 g/mol
LogP4.38
Rot. Bonds5

About 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate (PubChem CID 3039062) has the molecular formula C10H11Cl2O4P and a molecular weight of 297.07 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate
PubChem CID3039062
Molecular FormulaC10H11Cl2O4P
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate
SMILESC=C(OP(=O)(OC)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2O4P/c1-7(16-17(13,14-2)15-3)9-5-4-8(11)6-10(9)12/h4-6H,1H2,2-3H3
InChIKeyXVBTXHSXCGERSU-UHFFFAOYSA-N
XLogP4.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate?
The IUPAC name of 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate (CID 3039062) is 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate.
What is the SMILES notation for 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate?
The canonical SMILES for 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate is C=C(OP(=O)(OC)OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate?
The InChIKey is XVBTXHSXCGERSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2O4P/c1-7(16-17(13,14-2)15-3)9-5-4-8(11)6-10(9)12/h4-6H,1H2,2-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate?
1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate has a molecular weight of 297.07 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate is sourced from PubChem (CID 3039062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).