2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol

C19H32O2 — CID 5024764

IUPAC2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
SMILESCC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
InChIKeyXLWJPQQFJNGUPA-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.55
Rot. Bonds3

About 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol

2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol (PubChem CID 5024764) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
PubChem CID5024764
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
SMILESCC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
InChIKeyXLWJPQQFJNGUPA-UHFFFAOYSA-N
XLogP4.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.55
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-(3-hydroxy-2,2-dimethylpropyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol (CID 5024764) is 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol is CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol?
The InChIKey is XLWJPQQFJNGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol?
2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol has a molecular weight of 292.46 g/mol, XLogP of 4.55, 3 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-(3-hydroxy-2,2-dimethylpropyl)phenol is sourced from PubChem (CID 5024764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).