(2,4-dichloro-6-formylphenyl) diethyl phosphate

C11H13Cl2O5P — CID 71394264

IUPAC(2,4-dichloro-6-formylphenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C11H13Cl2O5P/c1-3-16-19(15,17-4-2)18-11-8(7-14)5-9(12)6-10(11)13/h5-7H,3-4H2,1-2H3
InChIKeyWCIVYCCJHZKZEA-UHFFFAOYSA-N
MW327.10 g/mol
LogP4.37
Rot. Bonds7

About (2,4-dichloro-6-formylphenyl) diethyl phosphate

(2,4-dichloro-6-formylphenyl) diethyl phosphate (PubChem CID 71394264) has the molecular formula C11H13Cl2O5P and a molecular weight of 327.10 g/mol. Its IUPAC name is (2,4-dichloro-6-formylphenyl) diethyl phosphate.

Molecular Properties

Compound Name(2,4-dichloro-6-formylphenyl) diethyl phosphate
PubChem CID71394264
Molecular FormulaC11H13Cl2O5P
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name(2,4-dichloro-6-formylphenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C11H13Cl2O5P/c1-3-16-19(15,17-4-2)18-11-8(7-14)5-9(12)6-10(11)13/h5-7H,3-4H2,1-2H3
InChIKeyWCIVYCCJHZKZEA-UHFFFAOYSA-N
XLogP4.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-formylphenyl) diethyl phosphate?
The IUPAC name of (2,4-dichloro-6-formylphenyl) diethyl phosphate (CID 71394264) is (2,4-dichloro-6-formylphenyl) diethyl phosphate.
What is the SMILES notation for (2,4-dichloro-6-formylphenyl) diethyl phosphate?
The canonical SMILES for (2,4-dichloro-6-formylphenyl) diethyl phosphate is CCOP(=O)(OCC)Oc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of (2,4-dichloro-6-formylphenyl) diethyl phosphate?
The InChIKey is WCIVYCCJHZKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2O5P/c1-3-16-19(15,17-4-2)18-11-8(7-14)5-9(12)6-10(11)13/h5-7H,3-4H2,1-2H3.
What are the key properties of (2,4-dichloro-6-formylphenyl) diethyl phosphate?
(2,4-dichloro-6-formylphenyl) diethyl phosphate has a molecular weight of 327.10 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-formylphenyl) diethyl phosphate is sourced from PubChem (CID 71394264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).