2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol

C15H25O4P — CID 2385006

IUPAC2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
SMILESCCOP(=O)(OCC)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H25O4P/c1-7-18-20(17,19-8-2)12-9-11(3)14(16)13(10-12)15(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyYCADMBLVASWXER-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.89
Rot. Bonds5

About 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol

2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol (PubChem CID 2385006) has the molecular formula C15H25O4P and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
PubChem CID2385006
Molecular FormulaC15H25O4P
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol
SMILESCCOP(=O)(OCC)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H25O4P/c1-7-18-20(17,19-8-2)12-9-11(3)14(16)13(10-12)15(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyYCADMBLVASWXER-UHFFFAOYSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
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 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol?
The IUPAC name of 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol (CID 2385006) is 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol?
The canonical SMILES for 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol is CCOP(=O)(OCC)c1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol?
The InChIKey is YCADMBLVASWXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4P/c1-7-18-20(17,19-8-2)12-9-11(3)14(16)13(10-12)15(4,5)6/h9-10,16H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol?
2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol has a molecular weight of 300.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-diethoxyphosphoryl-6-methylphenol is sourced from PubChem (CID 2385006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).