(3,4-dichlorophenyl)methyl diethyl phosphate

C11H15Cl2O4P — CID 91622424

IUPAC(3,4-dichlorophenyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2O4P/c1-3-15-18(14,16-4-2)17-8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyFEHATJCCOIBKLP-UHFFFAOYSA-N
MW313.12 g/mol
LogP4.69
Rot. Bonds7

About (3,4-dichlorophenyl)methyl diethyl phosphate

(3,4-dichlorophenyl)methyl diethyl phosphate (PubChem CID 91622424) has the molecular formula C11H15Cl2O4P and a molecular weight of 313.12 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl diethyl phosphate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl diethyl phosphate
PubChem CID91622424
Molecular FormulaC11H15Cl2O4P
Molecular Weight313.12 g/mol
Exact Mass312.01
IUPAC Name(3,4-dichlorophenyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2O4P/c1-3-15-18(14,16-4-2)17-8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyFEHATJCCOIBKLP-UHFFFAOYSA-N
XLogP4.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl diethyl phosphate?
The IUPAC name of (3,4-dichlorophenyl)methyl diethyl phosphate (CID 91622424) is (3,4-dichlorophenyl)methyl diethyl phosphate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl diethyl phosphate?
The canonical SMILES for (3,4-dichlorophenyl)methyl diethyl phosphate is CCOP(=O)(OCC)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl diethyl phosphate?
The InChIKey is FEHATJCCOIBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2O4P/c1-3-15-18(14,16-4-2)17-8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)methyl diethyl phosphate?
(3,4-dichlorophenyl)methyl diethyl phosphate has a molecular weight of 313.12 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl diethyl phosphate is sourced from PubChem (CID 91622424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).