2,3-ditert-butyl-4-ethylphenol

C16H26O — CID 18994457

IUPAC2,3-ditert-butyl-4-ethylphenol
SMILESCCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H26O/c1-8-11-9-10-12(17)14(16(5,6)7)13(11)15(2,3)4/h9-10,17H,8H2,1-7H3
InChIKeyZVAVMLFUZSRPPQ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.55
Rot. Bonds1

About 2,3-ditert-butyl-4-ethylphenol

2,3-ditert-butyl-4-ethylphenol (PubChem CID 18994457) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,3-ditert-butyl-4-ethylphenol.

Molecular Properties

Compound Name2,3-ditert-butyl-4-ethylphenol
PubChem CID18994457
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,3-ditert-butyl-4-ethylphenol
SMILESCCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H26O/c1-8-11-9-10-12(17)14(16(5,6)7)13(11)15(2,3)4/h9-10,17H,8H2,1-7H3
InChIKeyZVAVMLFUZSRPPQ-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4-ethylphenol?
The IUPAC name of 2,3-ditert-butyl-4-ethylphenol (CID 18994457) is 2,3-ditert-butyl-4-ethylphenol.
What is the SMILES notation for 2,3-ditert-butyl-4-ethylphenol?
The canonical SMILES for 2,3-ditert-butyl-4-ethylphenol is CCc1ccc(O)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-4-ethylphenol?
The InChIKey is ZVAVMLFUZSRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-8-11-9-10-12(17)14(16(5,6)7)13(11)15(2,3)4/h9-10,17H,8H2,1-7H3.
What are the key properties of 2,3-ditert-butyl-4-ethylphenol?
2,3-ditert-butyl-4-ethylphenol has a molecular weight of 234.38 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4-ethylphenol is sourced from PubChem (CID 18994457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).