Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt

C15H24NaO — CID 87970249

IUPAC—
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Na]
InChIInChI=1S/C15H24O.Na/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;/h8-9,16H,1-7H3;
InChIKeyNHFRRDMZVIALKN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds

About Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt

Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt (PubChem CID 87970249) has the molecular formula C15H24NaO and a molecular weight of 243.35 g/mol.

Molecular Properties

Compound NamePhenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
PubChem CID87970249
Molecular FormulaC15H24NaO
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name—
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Na]
InChIInChI=1S/C15H24O.Na/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;/h8-9,16H,1-7H3;
InChIKeyNHFRRDMZVIALKN-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
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(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141

Frequently Asked Questions

What is the IUPAC name of Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt?
The IUPAC name of Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt (CID 87970249) is not available.
What is the SMILES notation for Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt?
The canonical SMILES for Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Na].
What is the InChIKey of Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt?
The InChIKey is NHFRRDMZVIALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.Na/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;/h8-9,16H,1-7H3;.
What are the key properties of Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt?
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt has a molecular weight of 243.35 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt is sourced from PubChem (CID 87970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).