diethoxyphosphorylmethylbenzene

C11H17O3P — CID 14122

IUPACdiethoxyphosphorylmethylbenzene
SMILESCCOP(=O)(Cc1ccccc1)OCC
InChIInChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAIPRAPZUGUTQKX-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.45
Rot. Bonds6

About diethoxyphosphorylmethylbenzene

diethoxyphosphorylmethylbenzene (PubChem CID 14122) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is diethoxyphosphorylmethylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylmethylbenzene
PubChem CID14122
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Namediethoxyphosphorylmethylbenzene
SMILESCCOP(=O)(Cc1ccccc1)OCC
InChIInChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAIPRAPZUGUTQKX-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.45
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

Iprobenfos
CID 33294
Benzylphosphonic Acid
CID 81312
Kitazin
CID 25834
Phosphonic acid, phenyl-, diethyl ester
CID 15642
Dibutyl phenylphosphonate
CID 70559
Diethyl P-((4-methylphenyl)methyl)phosphonate
CID 3050
Dibutyl P-(phenylmethyl)phosphonate
CID 123200
Phosphonic acid, P,P'-(1,4-phenylenebis(methylene))bis-, P,P,P',P'-tetraethyl ester
CID 78303
Bis(1-Methylethyl) [2-(Sulfanylmethyl)phenyl]phosphonate
CID 46173032
O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate
CID 93117
Phosphinic acid, P-(4-methylphenyl)-
CID 6335377
Diethyl P-(1-phenylethyl)phosphonate
CID 99789

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylbenzene?
The IUPAC name of diethoxyphosphorylmethylbenzene (CID 14122) is diethoxyphosphorylmethylbenzene.
What is the SMILES notation for diethoxyphosphorylmethylbenzene?
The canonical SMILES for diethoxyphosphorylmethylbenzene is CCOP(=O)(Cc1ccccc1)OCC.
What is the InChIKey of diethoxyphosphorylmethylbenzene?
The InChIKey is AIPRAPZUGUTQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of diethoxyphosphorylmethylbenzene?
diethoxyphosphorylmethylbenzene has a molecular weight of 228.23 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylbenzene is sourced from PubChem (CID 14122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).