2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol

C20H24Br2O2 — CID 2129750

IUPAC2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
SMILESCC(C)(C)c1cc(-c2cc(Br)c(O)c(C(C)(C)C)c2)cc(Br)c1O
InChIInChI=1S/C20H24Br2O2/c1-19(2,3)13-7-11(9-15(21)17(13)23)12-8-14(20(4,5)6)18(24)16(22)10-12/h7-10,23-24H,1-6H3
InChIKeyVDYANGBPOVDLEB-UHFFFAOYSA-N
MW456.22 g/mol
LogP6.88
Rot. Bonds1

About 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol

2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol (PubChem CID 2129750) has the molecular formula C20H24Br2O2 and a molecular weight of 456.22 g/mol. Its IUPAC name is 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol.

Molecular Properties

Compound Name2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
PubChem CID2129750
Molecular FormulaC20H24Br2O2
Molecular Weight456.22 g/mol
Exact Mass454.01
IUPAC Name2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
SMILESCC(C)(C)c1cc(-c2cc(Br)c(O)c(C(C)(C)C)c2)cc(Br)c1O
InChIInChI=1S/C20H24Br2O2/c1-19(2,3)13-7-11(9-15(21)17(13)23)12-8-14(20(4,5)6)18(24)16(22)10-12/h7-10,23-24H,1-6H3
InChIKeyVDYANGBPOVDLEB-UHFFFAOYSA-N
XLogP6.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.22
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol?
The IUPAC name of 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol (CID 2129750) is 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol.
What is the SMILES notation for 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol?
The canonical SMILES for 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol is CC(C)(C)c1cc(-c2cc(Br)c(O)c(C(C)(C)C)c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol?
The InChIKey is VDYANGBPOVDLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O2/c1-19(2,3)13-7-11(9-15(21)17(13)23)12-8-14(20(4,5)6)18(24)16(22)10-12/h7-10,23-24H,1-6H3.
What are the key properties of 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol?
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol has a molecular weight of 456.22 g/mol, XLogP of 6.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol is sourced from PubChem (CID 2129750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).