(2,2-dichloro-2-diethoxyphosphorylethyl)benzene

C12H17Cl2O3P — CID 11141450

IUPAC(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
SMILESCCOP(=O)(OCC)C(Cl)(Cl)Cc1ccccc1
InChIInChI=1S/C12H17Cl2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAQUZQXGZTXZCKH-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.63
Rot. Bonds7

About (2,2-dichloro-2-diethoxyphosphorylethyl)benzene

(2,2-dichloro-2-diethoxyphosphorylethyl)benzene (PubChem CID 11141450) has the molecular formula C12H17Cl2O3P and a molecular weight of 311.15 g/mol. Its IUPAC name is (2,2-dichloro-2-diethoxyphosphorylethyl)benzene.

Molecular Properties

Compound Name(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
PubChem CID11141450
Molecular FormulaC12H17Cl2O3P
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC Name(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
SMILESCCOP(=O)(OCC)C(Cl)(Cl)Cc1ccccc1
InChIInChI=1S/C12H17Cl2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAQUZQXGZTXZCKH-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-2-diethoxyphosphorylethyl)benzene?
The IUPAC name of (2,2-dichloro-2-diethoxyphosphorylethyl)benzene (CID 11141450) is (2,2-dichloro-2-diethoxyphosphorylethyl)benzene.
What is the SMILES notation for (2,2-dichloro-2-diethoxyphosphorylethyl)benzene?
The canonical SMILES for (2,2-dichloro-2-diethoxyphosphorylethyl)benzene is CCOP(=O)(OCC)C(Cl)(Cl)Cc1ccccc1.
What is the InChIKey of (2,2-dichloro-2-diethoxyphosphorylethyl)benzene?
The InChIKey is AQUZQXGZTXZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of (2,2-dichloro-2-diethoxyphosphorylethyl)benzene?
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene has a molecular weight of 311.15 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-2-diethoxyphosphorylethyl)benzene is sourced from PubChem (CID 11141450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).