4-tert-butyl-2-diethoxyphosphorylphenol

C14H23O4P — CID 142755834

IUPAC4-tert-butyl-2-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C14H23O4P/c1-6-17-19(16,18-7-2)13-10-11(14(3,4)5)8-9-12(13)15/h8-10,15H,6-7H2,1-5H3
InChIKeyVIBZEARNOYUUTD-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.58
Rot. Bonds5

About 4-tert-butyl-2-diethoxyphosphorylphenol

4-tert-butyl-2-diethoxyphosphorylphenol (PubChem CID 142755834) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-tert-butyl-2-diethoxyphosphorylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-diethoxyphosphorylphenol
PubChem CID142755834
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name4-tert-butyl-2-diethoxyphosphorylphenol
SMILESCCOP(=O)(OCC)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C14H23O4P/c1-6-17-19(16,18-7-2)13-10-11(14(3,4)5)8-9-12(13)15/h8-10,15H,6-7H2,1-5H3
InChIKeyVIBZEARNOYUUTD-UHFFFAOYSA-N
XLogP3.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-diethoxyphosphorylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-diethoxyphosphorylphenol?
The IUPAC name of 4-tert-butyl-2-diethoxyphosphorylphenol (CID 142755834) is 4-tert-butyl-2-diethoxyphosphorylphenol.
What is the SMILES notation for 4-tert-butyl-2-diethoxyphosphorylphenol?
The canonical SMILES for 4-tert-butyl-2-diethoxyphosphorylphenol is CCOP(=O)(OCC)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-diethoxyphosphorylphenol?
The InChIKey is VIBZEARNOYUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-6-17-19(16,18-7-2)13-10-11(14(3,4)5)8-9-12(13)15/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-2-diethoxyphosphorylphenol?
4-tert-butyl-2-diethoxyphosphorylphenol has a molecular weight of 286.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-diethoxyphosphorylphenol is sourced from PubChem (CID 142755834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).