[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate

C10H12Cl3O4P — CID 134934512

IUPAC[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
SMILESCOP(=O)(OC)O[C@@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-5,10H,6H2,1-2H3/t10-/m0/s1
InChIKeyWPQTUSJHRKQTKU-JTQLQIEISA-N
MW333.54 g/mol
LogP4.69
Rot. Bonds6

About [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate

[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate (PubChem CID 134934512) has the molecular formula C10H12Cl3O4P and a molecular weight of 333.54 g/mol. Its IUPAC name is [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate.

Molecular Properties

Compound Name[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
PubChem CID134934512
Molecular FormulaC10H12Cl3O4P
Molecular Weight333.54 g/mol
Exact Mass331.95
IUPAC Name[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
SMILESCOP(=O)(OC)O[C@@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-5,10H,6H2,1-2H3/t10-/m0/s1
InChIKeyWPQTUSJHRKQTKU-JTQLQIEISA-N
XLogP4.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 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

Related Compounds

[(1S)-2-chloro-1-(2,4-dichlorophenyl)ethyl] 2-chloroacetate
CID 53231004
2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
CID 79446296
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid
CID 139464935
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
methyl (2,4-dichlorophenyl)-methoxymethanesulfinate
CID 10858513
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
5-chloro-4-(2,4-dichlorophenyl)pentane-1,2,3-triol
CID 19763617
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate?
The IUPAC name of [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate (CID 134934512) is [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate.
What is the SMILES notation for [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate?
The canonical SMILES for [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate is COP(=O)(OC)O[C@@H](CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate?
The InChIKey is WPQTUSJHRKQTKU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-5,10H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate?
[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate has a molecular weight of 333.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate is sourced from PubChem (CID 134934512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).