diethyl 2-phenylethyl phosphate

C12H19O4P — CID 13427307

IUPACdiethyl 2-phenylethyl phosphate
SMILESCCOP(=O)(OCC)OCCc1ccccc1
InChIInChI=1S/C12H19O4P/c1-3-14-17(13,15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLGHXGAOBLJVXOC-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.43
Rot. Bonds8

About diethyl 2-phenylethyl phosphate

diethyl 2-phenylethyl phosphate (PubChem CID 13427307) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is diethyl 2-phenylethyl phosphate.

Molecular Properties

Compound Namediethyl 2-phenylethyl phosphate
PubChem CID13427307
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Namediethyl 2-phenylethyl phosphate
SMILESCCOP(=O)(OCC)OCCc1ccccc1
InChIInChI=1S/C12H19O4P/c1-3-14-17(13,15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLGHXGAOBLJVXOC-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.43
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 diethyl 2-phenylethyl phosphate?
The IUPAC name of diethyl 2-phenylethyl phosphate (CID 13427307) is diethyl 2-phenylethyl phosphate.
What is the SMILES notation for diethyl 2-phenylethyl phosphate?
The canonical SMILES for diethyl 2-phenylethyl phosphate is CCOP(=O)(OCC)OCCc1ccccc1.
What is the InChIKey of diethyl 2-phenylethyl phosphate?
The InChIKey is LGHXGAOBLJVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-3-14-17(13,15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of diethyl 2-phenylethyl phosphate?
diethyl 2-phenylethyl phosphate has a molecular weight of 258.25 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-phenylethyl phosphate is sourced from PubChem (CID 13427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).