2-tert-butyl-6-diphenylphosphorylphenol

C22H23O2P — CID 3529267

IUPAC2-tert-butyl-6-diphenylphosphorylphenol
SMILESCC(C)(C)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C22H23O2P/c1-22(2,3)19-15-10-16-20(21(19)23)25(24,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-16,23H,1-3H3
InChIKeyBTXKELCFYDPEEJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.33
Rot. Bonds3

About 2-tert-butyl-6-diphenylphosphorylphenol

2-tert-butyl-6-diphenylphosphorylphenol (PubChem CID 3529267) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-tert-butyl-6-diphenylphosphorylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-diphenylphosphorylphenol
PubChem CID3529267
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name2-tert-butyl-6-diphenylphosphorylphenol
SMILESCC(C)(C)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C22H23O2P/c1-22(2,3)19-15-10-16-20(21(19)23)25(24,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-16,23H,1-3H3
InChIKeyBTXKELCFYDPEEJ-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-6-diphenylphosphorylphenol?
The IUPAC name of 2-tert-butyl-6-diphenylphosphorylphenol (CID 3529267) is 2-tert-butyl-6-diphenylphosphorylphenol.
What is the SMILES notation for 2-tert-butyl-6-diphenylphosphorylphenol?
The canonical SMILES for 2-tert-butyl-6-diphenylphosphorylphenol is CC(C)(C)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-tert-butyl-6-diphenylphosphorylphenol?
The InChIKey is BTXKELCFYDPEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2P/c1-22(2,3)19-15-10-16-20(21(19)23)25(24,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-16,23H,1-3H3.
What are the key properties of 2-tert-butyl-6-diphenylphosphorylphenol?
2-tert-butyl-6-diphenylphosphorylphenol has a molecular weight of 350.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-diphenylphosphorylphenol is sourced from PubChem (CID 3529267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).