1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene

C11H15Cl2O3P — CID 2795329

IUPAC1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene
SMILESCCOP(=O)(Cc1c(Cl)cccc1Cl)OCC
InChIInChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyWMVJGOZIAJRFLQ-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.76
Rot. Bonds6

About 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene

1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene (PubChem CID 2795329) has the molecular formula C11H15Cl2O3P and a molecular weight of 297.12 g/mol. Its IUPAC name is 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene
PubChem CID2795329
Molecular FormulaC11H15Cl2O3P
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene
SMILESCCOP(=O)(Cc1c(Cl)cccc1Cl)OCC
InChIInChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyWMVJGOZIAJRFLQ-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene (CID 2795329) is 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene is CCOP(=O)(Cc1c(Cl)cccc1Cl)OCC.
What is the InChIKey of 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene?
The InChIKey is WMVJGOZIAJRFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene?
1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene has a molecular weight of 297.12 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(diethoxyphosphorylmethyl)benzene is sourced from PubChem (CID 2795329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).