2-diethoxyphosphorylethylbenzene

C12H19O3P — CID 3448525

IUPAC2-diethoxyphosphorylethylbenzene
SMILESCCOP(=O)(CCc1ccccc1)OCC
InChIInChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyWEXGRJPJMNUCMG-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.50
Rot. Bonds7

About 2-diethoxyphosphorylethylbenzene

2-diethoxyphosphorylethylbenzene (PubChem CID 3448525) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-diethoxyphosphorylethylbenzene.

Molecular Properties

Compound Name2-diethoxyphosphorylethylbenzene
PubChem CID3448525
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-diethoxyphosphorylethylbenzene
SMILESCCOP(=O)(CCc1ccccc1)OCC
InChIInChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyWEXGRJPJMNUCMG-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.50
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

4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
3-diethoxyphosphorylpropylbenzene;diethyl hydrogen phosphite;1,3,5-tribenzyl-1,3,5-triazinane
CID 158019722
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
2-diethoxyphosphorylethylsulfinylbenzene
CID 12956686

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethylbenzene?
The IUPAC name of 2-diethoxyphosphorylethylbenzene (CID 3448525) is 2-diethoxyphosphorylethylbenzene.
What is the SMILES notation for 2-diethoxyphosphorylethylbenzene?
The canonical SMILES for 2-diethoxyphosphorylethylbenzene is CCOP(=O)(CCc1ccccc1)OCC.
What is the InChIKey of 2-diethoxyphosphorylethylbenzene?
The InChIKey is WEXGRJPJMNUCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylethylbenzene?
2-diethoxyphosphorylethylbenzene has a molecular weight of 242.25 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethylbenzene is sourced from PubChem (CID 3448525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).