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

C24H32O2 — CID 21188283

IUPAC6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1/C=C/c1c(C)ccc(C(C)(C)C)c1O
InChIInChI=1S/C24H32O2/c1-15-9-12-19(23(3,4)5)22(26)18(15)11-10-17-14-20(24(6,7)8)21(25)13-16(17)2/h9-14,25-26H,1-8H3/b11-10+
InChIKeyUUDRHPQBSJNLSJ-ZHACJKMWSA-N
MW352.52 g/mol
LogP6.48
Rot. Bonds2

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

6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol (PubChem CID 21188283) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol.

Molecular Properties

Compound Name6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol
PubChem CID21188283
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1/C=C/c1c(C)ccc(C(C)(C)C)c1O
InChIInChI=1S/C24H32O2/c1-15-9-12-19(23(3,4)5)22(26)18(15)11-10-17-14-20(24(6,7)8)21(25)13-16(17)2/h9-14,25-26H,1-8H3/b11-10+
InChIKeyUUDRHPQBSJNLSJ-ZHACJKMWSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol?
The IUPAC name of 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol (CID 21188283) is 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol.
What is the SMILES notation for 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol?
The canonical SMILES for 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1/C=C/c1c(C)ccc(C(C)(C)C)c1O.
What is the InChIKey of 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol?
The InChIKey is UUDRHPQBSJNLSJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H32O2/c1-15-9-12-19(23(3,4)5)22(26)18(15)11-10-17-14-20(24(6,7)8)21(25)13-16(17)2/h9-14,25-26H,1-8H3/b11-10+.
What are the key properties of 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol?
6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol has a molecular weight of 352.52 g/mol, XLogP of 6.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol is sourced from PubChem (CID 21188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).