2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol

C25H36O2 — CID 24841439

IUPAC2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
SMILESCc1cc(CCCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H36O2/c1-16-12-18(22(26)20(14-16)24(3,4)5)10-9-11-19-13-17(2)15-21(23(19)27)25(6,7)8/h12-15,26-27H,9-11H2,1-8H3
InChIKeyBZKVBMCNEKOAMI-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.48
Rot. Bonds4

About 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol (PubChem CID 24841439) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
PubChem CID24841439
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
SMILESCc1cc(CCCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H36O2/c1-16-12-18(22(26)20(14-16)24(3,4)5)10-9-11-19-13-17(2)15-21(23(19)27)25(6,7)8/h12-15,26-27H,9-11H2,1-8H3
InChIKeyBZKVBMCNEKOAMI-UHFFFAOYSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
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-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
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
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
CID 166786762
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol (CID 24841439) is 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol is Cc1cc(CCCc2cc(C)cc(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-hydroxy-5-methylphenyl)propyl]-4-methylphenol?
The InChIKey is BZKVBMCNEKOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-16-12-18(22(26)20(14-16)24(3,4)5)10-9-11-19-13-17(2)15-21(23(19)27)25(6,7)8/h12-15,26-27H,9-11H2,1-8H3.
What are the key properties of 2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol?
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol has a molecular weight of 368.56 g/mol, XLogP of 6.48, 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-hydroxy-5-methylphenyl)propyl]-4-methylphenol is sourced from PubChem (CID 24841439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).