2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol

C16H26O — CID 20689836

IUPAC2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5/h9-10,17H,8H2,1-7H3
InChIKeyNXEGRLYGNHHYHE-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.69
Rot. Bonds2

About 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol

2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol (PubChem CID 20689836) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
PubChem CID20689836
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5/h9-10,17H,8H2,1-7H3
InChIKeyNXEGRLYGNHHYHE-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
CID 158537359
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol
CID 88687276
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2-tert-butyl-4,6-dimethylphenol
CID 87814182
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
CID 135046337
CID 135046337
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol (CID 20689836) is 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol?
The InChIKey is NXEGRLYGNHHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5/h9-10,17H,8H2,1-7H3.
What are the key properties of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol?
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 20689836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).