3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol

C24H34O2 — CID 70477188

IUPAC3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol
SMILESCc1cc(O)cc(C(C)(C)C)c1C(C)c1c(C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C24H34O2/c1-14-10-17(25)12-19(23(4,5)6)21(14)16(3)22-15(2)11-18(26)13-20(22)24(7,8)9/h10-13,16,25-26H,1-9H3
InChIKeyZBLOATYDZXIWCF-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.46
Rot. Bonds2

About 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol

3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol (PubChem CID 70477188) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol
PubChem CID70477188
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol
SMILESCc1cc(O)cc(C(C)(C)C)c1C(C)c1c(C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C24H34O2/c1-14-10-17(25)12-19(23(4,5)6)21(14)16(3)22-15(2)11-18(26)13-20(22)24(7,8)9/h10-13,16,25-26H,1-9H3
InChIKeyZBLOATYDZXIWCF-UHFFFAOYSA-N
XLogP6.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol?
The IUPAC name of 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol (CID 70477188) is 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol.
What is the SMILES notation for 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol?
The canonical SMILES for 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol is Cc1cc(O)cc(C(C)(C)C)c1C(C)c1c(C)cc(O)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol?
The InChIKey is ZBLOATYDZXIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-14-10-17(25)12-19(23(4,5)6)21(14)16(3)22-15(2)11-18(26)13-20(22)24(7,8)9/h10-13,16,25-26H,1-9H3.
What are the key properties of 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol?
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol has a molecular weight of 354.53 g/mol, XLogP of 6.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol is sourced from PubChem (CID 70477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).