2-butyl-3-ethyl-4,5,6-trimethylphenol

C15H24O — CID 139832207

IUPAC2-butyl-3-ethyl-4,5,6-trimethylphenol
SMILESCCCCc1c(O)c(C)c(C)c(C)c1CC
InChIInChI=1S/C15H24O/c1-6-8-9-14-13(7-2)11(4)10(3)12(5)15(14)16/h16H,6-9H2,1-5H3
InChIKeyNDOMRACSXJUMGP-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.22
Rot. Bonds4

About 2-butyl-3-ethyl-4,5,6-trimethylphenol

2-butyl-3-ethyl-4,5,6-trimethylphenol (PubChem CID 139832207) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-butyl-3-ethyl-4,5,6-trimethylphenol.

Molecular Properties

Compound Name2-butyl-3-ethyl-4,5,6-trimethylphenol
PubChem CID139832207
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-butyl-3-ethyl-4,5,6-trimethylphenol
SMILESCCCCc1c(O)c(C)c(C)c(C)c1CC
InChIInChI=1S/C15H24O/c1-6-8-9-14-13(7-2)11(4)10(3)12(5)15(14)16/h16H,6-9H2,1-5H3
InChIKeyNDOMRACSXJUMGP-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Di-tert-butyl-4-methylphenol
CID 31404
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
2,3,6-Trimethylphenol
CID 17016
Trimethylhydroquinone
CID 12785
Amylmetacresol
CID 14759
4,6-Di-tert-butyl-3-methylphenol
CID 10346
2,4,6-Tri-tert-butylphenol
CID 12902
2,3,5-Trimethylphenol
CID 12769
2,4-Dimethyl-6-tert-butylphenol
CID 15884
2,5-Diisopropylphenol
CID 93189
Xanthorrhizol
CID 93135
2,4-Diisopropylphenol
CID 18048

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-4,5,6-trimethylphenol?
The IUPAC name of 2-butyl-3-ethyl-4,5,6-trimethylphenol (CID 139832207) is 2-butyl-3-ethyl-4,5,6-trimethylphenol.
What is the SMILES notation for 2-butyl-3-ethyl-4,5,6-trimethylphenol?
The canonical SMILES for 2-butyl-3-ethyl-4,5,6-trimethylphenol is CCCCc1c(O)c(C)c(C)c(C)c1CC.
What is the InChIKey of 2-butyl-3-ethyl-4,5,6-trimethylphenol?
The InChIKey is NDOMRACSXJUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-8-9-14-13(7-2)11(4)10(3)12(5)15(14)16/h16H,6-9H2,1-5H3.
What are the key properties of 2-butyl-3-ethyl-4,5,6-trimethylphenol?
2-butyl-3-ethyl-4,5,6-trimethylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-4,5,6-trimethylphenol is sourced from PubChem (CID 139832207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).