2,4-dichloro-1-dimethylphosphoryloxybenzene

C8H9Cl2O2P — CID 20795526

IUPAC2,4-dichloro-1-dimethylphosphoryloxybenzene
SMILESCP(C)(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2O2P/c1-13(2,11)12-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKeyIPIJITOQLGKVBI-UHFFFAOYSA-N
MW239.04 g/mol
LogP3.91
Rot. Bonds2

About 2,4-dichloro-1-dimethylphosphoryloxybenzene

2,4-dichloro-1-dimethylphosphoryloxybenzene (PubChem CID 20795526) has the molecular formula C8H9Cl2O2P and a molecular weight of 239.04 g/mol. Its IUPAC name is 2,4-dichloro-1-dimethylphosphoryloxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-dimethylphosphoryloxybenzene
PubChem CID20795526
Molecular FormulaC8H9Cl2O2P
Molecular Weight239.04 g/mol
Exact Mass237.97
IUPAC Name2,4-dichloro-1-dimethylphosphoryloxybenzene
SMILESCP(C)(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2O2P/c1-13(2,11)12-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKeyIPIJITOQLGKVBI-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
CID 134828232
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 9299
2,4-dichloro-1-(methylsulfinylmethoxy)benzene
CID 68577849
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline
CID 3352310

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-dimethylphosphoryloxybenzene?
The IUPAC name of 2,4-dichloro-1-dimethylphosphoryloxybenzene (CID 20795526) is 2,4-dichloro-1-dimethylphosphoryloxybenzene.
What is the SMILES notation for 2,4-dichloro-1-dimethylphosphoryloxybenzene?
The canonical SMILES for 2,4-dichloro-1-dimethylphosphoryloxybenzene is CP(C)(=O)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-dimethylphosphoryloxybenzene?
The InChIKey is IPIJITOQLGKVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2O2P/c1-13(2,11)12-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-1-dimethylphosphoryloxybenzene?
2,4-dichloro-1-dimethylphosphoryloxybenzene has a molecular weight of 239.04 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-dimethylphosphoryloxybenzene is sourced from PubChem (CID 20795526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).