1-dichlorophosphoryl-2,4-dimethoxybenzene

C8H9Cl2O3P — CID 20548444

IUPAC1-dichlorophosphoryl-2,4-dimethoxybenzene
SMILESCOc1ccc(P(=O)(Cl)Cl)c(OC)c1
InChIInChI=1S/C8H9Cl2O3P/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3
InChIKeyQDKVGXHTMUANCH-UHFFFAOYSA-N
MW255.04 g/mol
LogP3.00
Rot. Bonds3

About 1-dichlorophosphoryl-2,4-dimethoxybenzene

1-dichlorophosphoryl-2,4-dimethoxybenzene (PubChem CID 20548444) has the molecular formula C8H9Cl2O3P and a molecular weight of 255.04 g/mol. Its IUPAC name is 1-dichlorophosphoryl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-dichlorophosphoryl-2,4-dimethoxybenzene
PubChem CID20548444
Molecular FormulaC8H9Cl2O3P
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name1-dichlorophosphoryl-2,4-dimethoxybenzene
SMILESCOc1ccc(P(=O)(Cl)Cl)c(OC)c1
InChIInChI=1S/C8H9Cl2O3P/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3
InChIKeyQDKVGXHTMUANCH-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 53.00
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-dichlorophosphoryl-2,4-dimethoxybenzene?
The IUPAC name of 1-dichlorophosphoryl-2,4-dimethoxybenzene (CID 20548444) is 1-dichlorophosphoryl-2,4-dimethoxybenzene.
What is the SMILES notation for 1-dichlorophosphoryl-2,4-dimethoxybenzene?
The canonical SMILES for 1-dichlorophosphoryl-2,4-dimethoxybenzene is COc1ccc(P(=O)(Cl)Cl)c(OC)c1.
What is the InChIKey of 1-dichlorophosphoryl-2,4-dimethoxybenzene?
The InChIKey is QDKVGXHTMUANCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2O3P/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3.
What are the key properties of 1-dichlorophosphoryl-2,4-dimethoxybenzene?
1-dichlorophosphoryl-2,4-dimethoxybenzene has a molecular weight of 255.04 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryl-2,4-dimethoxybenzene is sourced from PubChem (CID 20548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).