2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol

C26H38O2 — CID 3480834

IUPAC2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H38O2/c1-16-11-18(22(27)19(12-16)24(2,3)4)13-17-14-20(25(5,6)7)23(28)21(15-17)26(8,9)10/h11-12,14-15,27-28H,13H2,1-10H3
InChIKeyRJNRBGRBVZIXFZ-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.89
Rot. Bonds2

About 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol

2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol (PubChem CID 3480834) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
PubChem CID3480834
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H38O2/c1-16-11-18(22(27)19(12-16)24(2,3)4)13-17-14-20(25(5,6)7)23(28)21(15-17)26(8,9)10/h11-12,14-15,27-28H,13H2,1-10H3
InChIKeyRJNRBGRBVZIXFZ-UHFFFAOYSA-N
XLogP6.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol;prop-2-enoic acid
CID 175171517
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol (CID 3480834) is 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol is Cc1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol?
The InChIKey is RJNRBGRBVZIXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-16-11-18(22(27)19(12-16)24(2,3)4)13-17-14-20(25(5,6)7)23(28)21(15-17)26(8,9)10/h11-12,14-15,27-28H,13H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol?
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol has a molecular weight of 382.59 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 3480834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).