diethyl (4-methylphenyl) phosphate

C11H17O4P — CID 521239

IUPACdiethyl (4-methylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(C)cc1
InChIInChI=1S/C11H17O4P/c1-4-13-16(12,14-5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyUBSNERLLCAIDQQ-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.55
Rot. Bonds6

About diethyl (4-methylphenyl) phosphate

diethyl (4-methylphenyl) phosphate (PubChem CID 521239) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is diethyl (4-methylphenyl) phosphate.

Molecular Properties

Compound Namediethyl (4-methylphenyl) phosphate
PubChem CID521239
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Namediethyl (4-methylphenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(C)cc1
InChIInChI=1S/C11H17O4P/c1-4-13-16(12,14-5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyUBSNERLLCAIDQQ-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.55
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 (4-methylphenyl) phosphate?
The IUPAC name of diethyl (4-methylphenyl) phosphate (CID 521239) is diethyl (4-methylphenyl) phosphate.
What is the SMILES notation for diethyl (4-methylphenyl) phosphate?
The canonical SMILES for diethyl (4-methylphenyl) phosphate is CCOP(=O)(OCC)Oc1ccc(C)cc1.
What is the InChIKey of diethyl (4-methylphenyl) phosphate?
The InChIKey is UBSNERLLCAIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-4-13-16(12,14-5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of diethyl (4-methylphenyl) phosphate?
diethyl (4-methylphenyl) phosphate has a molecular weight of 244.23 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4-methylphenyl) phosphate is sourced from PubChem (CID 521239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).