2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol

C22H30O2 — CID 54333604

IUPAC2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
SMILESCCc1ccc(O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1
InChIInChI=1S/C22H30O2/c1-8-14-9-10-19(23)16(11-14)15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h9-13,23-24H,8H2,1-7H3
InChIKeyTTWVGYSRYBKXFG-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.92
Rot. Bonds2

About 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol

2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol (PubChem CID 54333604) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
PubChem CID54333604
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
SMILESCCc1ccc(O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1
InChIInChI=1S/C22H30O2/c1-8-14-9-10-19(23)16(11-14)15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h9-13,23-24H,8H2,1-7H3
InChIKeyTTWVGYSRYBKXFG-UHFFFAOYSA-N
XLogP5.92
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 ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol (CID 54333604) is 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol is CCc1ccc(O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol?
The InChIKey is TTWVGYSRYBKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-8-14-9-10-19(23)16(11-14)15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h9-13,23-24H,8H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol?
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol has a molecular weight of 326.48 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol is sourced from PubChem (CID 54333604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).