2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium

C15H26O3P+ — CID 135147079

IUPAC2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.O=[PH+]O
InChIInChI=1S/C15H24O.HO2P/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-3-2/h8-9,16H,1-7H3;3H/p+1
InChIKeyNNUTWMWRNNPMBQ-UHFFFAOYSA-O
MW285.34 g/mol
LogP4.21
Rot. Bonds

About 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium

2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium (PubChem CID 135147079) has the molecular formula C15H26O3P+ and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
PubChem CID135147079
Molecular FormulaC15H26O3P+
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.O=[PH+]O
InChIInChI=1S/C15H24O.HO2P/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-3-2/h8-9,16H,1-7H3;3H/p+1
InChIKeyNNUTWMWRNNPMBQ-UHFFFAOYSA-O
XLogP4.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2,6-ditert-butyl-4-methylphenol;furan-2,5-dione
CID 158428660

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium (CID 135147079) is 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.O=[PH+]O.
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium?
The InChIKey is NNUTWMWRNNPMBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24O.HO2P/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-3-2/h8-9,16H,1-7H3;3H/p+1.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium?
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium has a molecular weight of 285.34 g/mol, XLogP of 4.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium is sourced from PubChem (CID 135147079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).