diethyl phenyl phosphate

C10H15O4P — CID 17280

IUPACdiethyl phenyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccccc1
InChIInChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyDHTQKXHLXVUBCF-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.25
Rot. Bonds6

About diethyl phenyl phosphate

diethyl phenyl phosphate (PubChem CID 17280) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is diethyl phenyl phosphate.

Molecular Properties

Compound Namediethyl phenyl phosphate
PubChem CID17280
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namediethyl phenyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccccc1
InChIInChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyDHTQKXHLXVUBCF-UHFFFAOYSA-N
XLogP3.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.25
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 phenyl phosphate?
The IUPAC name of diethyl phenyl phosphate (CID 17280) is diethyl phenyl phosphate.
What is the SMILES notation for diethyl phenyl phosphate?
The canonical SMILES for diethyl phenyl phosphate is CCOP(=O)(OCC)Oc1ccccc1.
What is the InChIKey of diethyl phenyl phosphate?
The InChIKey is DHTQKXHLXVUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl phenyl phosphate?
diethyl phenyl phosphate has a molecular weight of 230.20 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phenyl phosphate is sourced from PubChem (CID 17280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).