[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite

C8H9Cl2O3P — CID 162515513

IUPAC[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
SMILESO=P(CCc1ccccc1)(OCl)OCl
InChIInChI=1S/C8H9Cl2O3P/c9-12-14(11,13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyUQXWPOMMOPSURV-UHFFFAOYSA-N
MW255.04 g/mol
LogP3.76
Rot. Bonds5

About [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite

[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite (PubChem CID 162515513) has the molecular formula C8H9Cl2O3P and a molecular weight of 255.04 g/mol. Its IUPAC name is [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite.

Molecular Properties

Compound Name[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
PubChem CID162515513
Molecular FormulaC8H9Cl2O3P
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
SMILESO=P(CCc1ccccc1)(OCl)OCl
InChIInChI=1S/C8H9Cl2O3P/c9-12-14(11,13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyUQXWPOMMOPSURV-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphorylethylbenzene
CID 3448525
2-dichlorophosphorylethylbenzene
CID 15169214
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
2-[2-[bis(2-phenylethyl)phosphoryloxy]ethyl-(2-phenylethyl)phosphoryl]ethylbenzene
CID 100957246
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
CID 14248167
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
benzene;2-phenylethylbenzene
CID 18982764
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049

Frequently Asked Questions

What is the IUPAC name of [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite?
The IUPAC name of [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite (CID 162515513) is [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite.
What is the SMILES notation for [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite?
The canonical SMILES for [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite is O=P(CCc1ccccc1)(OCl)OCl.
What is the InChIKey of [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite?
The InChIKey is UQXWPOMMOPSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2O3P/c9-12-14(11,13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite?
[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite has a molecular weight of 255.04 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorooxy(2-phenylethyl)phosphoryl] hypochlorite is sourced from PubChem (CID 162515513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).