5-tert-butyl-4-ethyl-2-methylphenol

C13H20O — CID 142192089

IUPAC5-tert-butyl-4-ethyl-2-methylphenol
SMILESCCc1cc(C)c(O)cc1C(C)(C)C
InChIInChI=1S/C13H20O/c1-6-10-7-9(2)12(14)8-11(10)13(3,4)5/h7-8,14H,6H2,1-5H3
InChIKeyAHHXSMWZQGMTCI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.56
Rot. Bonds1

About 5-tert-butyl-4-ethyl-2-methylphenol

5-tert-butyl-4-ethyl-2-methylphenol (PubChem CID 142192089) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-2-methylphenol.

Molecular Properties

Compound Name5-tert-butyl-4-ethyl-2-methylphenol
PubChem CID142192089
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-tert-butyl-4-ethyl-2-methylphenol
SMILESCCc1cc(C)c(O)cc1C(C)(C)C
InChIInChI=1S/C13H20O/c1-6-10-7-9(2)12(14)8-11(10)13(3,4)5/h7-8,14H,6H2,1-5H3
InChIKeyAHHXSMWZQGMTCI-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol
CID 139762112
5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
(2-tert-butyl-4-hydroxy-5-methylphenyl) pentanoate
CID 175594196
tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite
CID 175167608
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
[2-[3-[1-[3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 70223273

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-2-methylphenol?
The IUPAC name of 5-tert-butyl-4-ethyl-2-methylphenol (CID 142192089) is 5-tert-butyl-4-ethyl-2-methylphenol.
What is the SMILES notation for 5-tert-butyl-4-ethyl-2-methylphenol?
The canonical SMILES for 5-tert-butyl-4-ethyl-2-methylphenol is CCc1cc(C)c(O)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethyl-2-methylphenol?
The InChIKey is AHHXSMWZQGMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-10-7-9(2)12(14)8-11(10)13(3,4)5/h7-8,14H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-4-ethyl-2-methylphenol?
5-tert-butyl-4-ethyl-2-methylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethyl-2-methylphenol is sourced from PubChem (CID 142192089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).