[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene

C9H9Cl4O3P — CID 134897580

IUPAC[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
SMILESO=P(Cl)(OCc1ccccc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl4O3P/c10-9(11,12)7-16-17(13,14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFOZGOBUCYXFYCR-UHFFFAOYSA-N
MW337.95 g/mol
LogP4.94
Rot. Bonds5

About [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene

[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene (PubChem CID 134897580) has the molecular formula C9H9Cl4O3P and a molecular weight of 337.95 g/mol. Its IUPAC name is [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
PubChem CID134897580
Molecular FormulaC9H9Cl4O3P
Molecular Weight337.95 g/mol
Exact Mass335.90
IUPAC Name[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
SMILESO=P(Cl)(OCc1ccccc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl4O3P/c10-9(11,12)7-16-17(13,14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFOZGOBUCYXFYCR-UHFFFAOYSA-N
XLogP4.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.95
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene
CID 134897537
1-chloro-4-[[chloro-[(4-chlorophenyl)methoxy]phosphoryl]oxymethyl]benzene
CID 86139715
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
1-phenylpropan-2-yl bis(2,2,2-trichloroethyl) phosphate
CID 101178571
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
[chloro(nitro)phosphoryl]oxymethylbenzene
CID 174417021
dibenzyl hydrogen phosphate;silver
CID 85301331
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870

Frequently Asked Questions

What is the IUPAC name of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene (CID 134897580) is [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene is O=P(Cl)(OCc1ccccc1)OCC(Cl)(Cl)Cl.
What is the InChIKey of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene?
The InChIKey is FOZGOBUCYXFYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl4O3P/c10-9(11,12)7-16-17(13,14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene?
[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene has a molecular weight of 337.95 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 134897580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).