1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene

C8H7Cl4O3P — CID 20542159

IUPAC1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene
SMILESCOP(=O)(OC)c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl4O3P/c1-14-16(13,15-2)8-6(11)4(9)3-5(10)7(8)12/h3H,1-2H3
InChIKeyWTDVXKKMIUZIMD-UHFFFAOYSA-N
MW323.93 g/mol
LogP4.41
Rot. Bonds3

About 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene

1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene (PubChem CID 20542159) has the molecular formula C8H7Cl4O3P and a molecular weight of 323.93 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene
PubChem CID20542159
Molecular FormulaC8H7Cl4O3P
Molecular Weight323.93 g/mol
Exact Mass321.89
IUPAC Name1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene
SMILESCOP(=O)(OC)c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl4O3P/c1-14-16(13,15-2)8-6(11)4(9)3-5(10)7(8)12/h3H,1-2H3
InChIKeyWTDVXKKMIUZIMD-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.93
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
CID 165351110
1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
3-(3-chlorophenyl)-4-dimethoxyphosphoryl-1H-pyrrole
CID 71412998
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
CID 15648813
tris(2,3,5-trichloro-6-methoxyphenyl)borane
CID 87743306
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
3,4-dichloro-N-[methoxy(methyl)phosphoryl]-N-(trifluoromethyl)aniline
CID 171034930
[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
CID 6913716
1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
CID 71372234
3-tert-butyl-1,2,4,5-tetrachlorobenzene
CID 59752465
formic acid;1,2,3,4,5-pentachlorobenzene
CID 159674578

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene?
The IUPAC name of 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene (CID 20542159) is 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene is COP(=O)(OC)c1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene?
The InChIKey is WTDVXKKMIUZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl4O3P/c1-14-16(13,15-2)8-6(11)4(9)3-5(10)7(8)12/h3H,1-2H3.
What are the key properties of 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene?
1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene has a molecular weight of 323.93 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene is sourced from PubChem (CID 20542159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).