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

C22H30O2 — CID 19706004

IUPAC2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2ccc(C(C)(C)C)cc2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H30O2/c1-14-10-16(20(24)18(11-14)22(5,6)7)12-15-8-9-17(13-19(15)23)21(2,3)4/h8-11,13,23-24H,12H2,1-7H3
InChIKeyHNNRXMVMHVGKHY-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.59
Rot. Bonds2

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

2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol (PubChem CID 19706004) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
PubChem CID19706004
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2ccc(C(C)(C)C)cc2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H30O2/c1-14-10-16(20(24)18(11-14)22(5,6)7)12-15-8-9-17(13-19(15)23)21(2,3)4/h8-11,13,23-24H,12H2,1-7H3
InChIKeyHNNRXMVMHVGKHY-UHFFFAOYSA-N
XLogP5.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.59
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-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
CID 20556676
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propyl]phenol;2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 87996954
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butyl-6-[[5-tert-butyl-3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2-(4-methylanilino)phenyl]methyl]-4-methylphenol;toluene
CID 139141778

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol (CID 19706004) is 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol is Cc1cc(Cc2ccc(C(C)(C)C)cc2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol?
The InChIKey is HNNRXMVMHVGKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-14-10-16(20(24)18(11-14)22(5,6)7)12-15-8-9-17(13-19(15)23)21(2,3)4/h8-11,13,23-24H,12H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol?
2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol has a molecular weight of 326.48 g/mol, XLogP of 5.59, 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-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 19706004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).