2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol

C26H38O2 — CID 166786762

IUPAC2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
SMILESCc1cc(CCC(C)(C)c2cccc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H38O2/c1-17-15-18(22(27)21(16-17)25(5,6)7)13-14-26(8,9)20-12-10-11-19(23(20)28)24(2,3)4/h10-12,15-16,27-28H,13-14H2,1-9H3
InChIKeyZOGYWPRNYDXSFU-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.91
Rot. Bonds4

About 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol (PubChem CID 166786762) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
PubChem CID166786762
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
SMILESCc1cc(CCC(C)(C)c2cccc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H38O2/c1-17-15-18(22(27)21(16-17)25(5,6)7)13-14-26(8,9)20-12-10-11-19(23(20)28)24(2,3)4/h10-12,15-16,27-28H,13-14H2,1-9H3
InChIKeyZOGYWPRNYDXSFU-UHFFFAOYSA-N
XLogP6.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol (CID 166786762) is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol is Cc1cc(CCC(C)(C)c2cccc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol?
The InChIKey is ZOGYWPRNYDXSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-17-15-18(22(27)21(16-17)25(5,6)7)13-14-26(8,9)20-12-10-11-19(23(20)28)24(2,3)4/h10-12,15-16,27-28H,13-14H2,1-9H3.
What are the key properties of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol?
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol has a molecular weight of 382.59 g/mol, XLogP of 6.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol is sourced from PubChem (CID 166786762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).