4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol

C23H33O2P — CID 23082347

IUPAC4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol
SMILESCCCP(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C23H33O2P/c1-8-13-26(20-14-16(22(2,3)4)9-11-18(20)24)21-15-17(23(5,6)7)10-12-19(21)25/h9-12,14-15,24-25H,8,13H2,1-7H3
InChIKeyYJKYKQTXEYXGJR-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.54
Rot. Bonds4

About 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol

4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol (PubChem CID 23082347) has the molecular formula C23H33O2P and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol
PubChem CID23082347
Molecular FormulaC23H33O2P
Molecular Weight372.49 g/mol
Exact Mass372.22
IUPAC Name4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol
SMILESCCCP(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C23H33O2P/c1-8-13-26(20-14-16(22(2,3)4)9-11-18(20)24)21-15-17(23(5,6)7)10-12-19(21)25/h9-12,14-15,24-25H,8,13H2,1-7H3
InChIKeyYJKYKQTXEYXGJR-UHFFFAOYSA-N
XLogP5.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.54
H-Bond Donors ≤ 52
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 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol (CID 23082347) is 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol is CCCP(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol?
The InChIKey is YJKYKQTXEYXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33O2P/c1-8-13-26(20-14-16(22(2,3)4)9-11-18(20)24)21-15-17(23(5,6)7)10-12-19(21)25/h9-12,14-15,24-25H,8,13H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol?
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol has a molecular weight of 372.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol is sourced from PubChem (CID 23082347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).