(3-chlorophenyl) diethyl phosphate

C10H14ClO4P — CID 520553

IUPAC(3-chlorophenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(Cl)c1
InChIInChI=1S/C10H14ClO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyOXUXCXDESUJMFE-UHFFFAOYSA-N
MW264.64 g/mol
LogP3.90
Rot. Bonds6

About (3-chlorophenyl) diethyl phosphate

(3-chlorophenyl) diethyl phosphate (PubChem CID 520553) has the molecular formula C10H14ClO4P and a molecular weight of 264.64 g/mol. Its IUPAC name is (3-chlorophenyl) diethyl phosphate.

Molecular Properties

Compound Name(3-chlorophenyl) diethyl phosphate
PubChem CID520553
Molecular FormulaC10H14ClO4P
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name(3-chlorophenyl) diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1cccc(Cl)c1
InChIInChI=1S/C10H14ClO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyOXUXCXDESUJMFE-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 53.90
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-chlorophenyl) diethyl phosphate?
The IUPAC name of (3-chlorophenyl) diethyl phosphate (CID 520553) is (3-chlorophenyl) diethyl phosphate.
What is the SMILES notation for (3-chlorophenyl) diethyl phosphate?
The canonical SMILES for (3-chlorophenyl) diethyl phosphate is CCOP(=O)(OCC)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) diethyl phosphate?
The InChIKey is OXUXCXDESUJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClO4P/c1-3-13-16(12,14-4-2)15-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of (3-chlorophenyl) diethyl phosphate?
(3-chlorophenyl) diethyl phosphate has a molecular weight of 264.64 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) diethyl phosphate is sourced from PubChem (CID 520553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).