2-tert-butyl-4-ethylphenol

C12H18O — CID 7309

IUPAC2-tert-butyl-4-ethylphenol
SMILESCCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
InChIKeyLZHCVNIARUXHAL-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.25
Rot. Bonds1

About 2-tert-butyl-4-ethylphenol

2-tert-butyl-4-ethylphenol (PubChem CID 7309) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-tert-butyl-4-ethylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-ethylphenol
PubChem CID7309
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-tert-butyl-4-ethylphenol
SMILESCCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
InChIKeyLZHCVNIARUXHAL-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethylphenol?
The IUPAC name of 2-tert-butyl-4-ethylphenol (CID 7309) is 2-tert-butyl-4-ethylphenol.
What is the SMILES notation for 2-tert-butyl-4-ethylphenol?
The canonical SMILES for 2-tert-butyl-4-ethylphenol is CCc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-ethylphenol?
The InChIKey is LZHCVNIARUXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethylphenol?
2-tert-butyl-4-ethylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethylphenol is sourced from PubChem (CID 7309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).