2-dichlorophosphorylethylbenzene

C8H9Cl2OP — CID 15169214

IUPAC2-dichlorophosphorylethylbenzene
SMILESO=P(Cl)(Cl)CCc1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXQANZTRSJCEURX-UHFFFAOYSA-N
MW223.04 g/mol
LogP3.90
Rot. Bonds3

About 2-dichlorophosphorylethylbenzene

2-dichlorophosphorylethylbenzene (PubChem CID 15169214) has the molecular formula C8H9Cl2OP and a molecular weight of 223.04 g/mol. Its IUPAC name is 2-dichlorophosphorylethylbenzene.

Molecular Properties

Compound Name2-dichlorophosphorylethylbenzene
PubChem CID15169214
Molecular FormulaC8H9Cl2OP
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Name2-dichlorophosphorylethylbenzene
SMILESO=P(Cl)(Cl)CCc1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXQANZTRSJCEURX-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
benzene;2-phenylethylbenzene
CID 18982764
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
2-diethoxyphosphorylethylbenzene
CID 3448525
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-[2-[bis(2-phenylethyl)phosphoryloxy]ethyl-(2-phenylethyl)phosphoryl]ethylbenzene
CID 100957246
bis(2-phenylethyl)-selanylidene-selenido-λ5-phosphane
CID 46910600
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphorylethylbenzene?
The IUPAC name of 2-dichlorophosphorylethylbenzene (CID 15169214) is 2-dichlorophosphorylethylbenzene.
What is the SMILES notation for 2-dichlorophosphorylethylbenzene?
The canonical SMILES for 2-dichlorophosphorylethylbenzene is O=P(Cl)(Cl)CCc1ccccc1.
What is the InChIKey of 2-dichlorophosphorylethylbenzene?
The InChIKey is XQANZTRSJCEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-dichlorophosphorylethylbenzene?
2-dichlorophosphorylethylbenzene has a molecular weight of 223.04 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphorylethylbenzene is sourced from PubChem (CID 15169214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).