2-tert-butyl-5-ethylbenzene-1,4-diol

C12H18O2 — CID 13097614

IUPAC2-tert-butyl-5-ethylbenzene-1,4-diol
SMILESCCc1cc(O)c(C(C)(C)C)cc1O
InChIInChI=1S/C12H18O2/c1-5-8-6-11(14)9(7-10(8)13)12(2,3)4/h6-7,13-14H,5H2,1-4H3
InChIKeyLFFQVBMXUKNVHU-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.96
Rot. Bonds1

About 2-tert-butyl-5-ethylbenzene-1,4-diol

2-tert-butyl-5-ethylbenzene-1,4-diol (PubChem CID 13097614) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-tert-butyl-5-ethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-tert-butyl-5-ethylbenzene-1,4-diol
PubChem CID13097614
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-tert-butyl-5-ethylbenzene-1,4-diol
SMILESCCc1cc(O)c(C(C)(C)C)cc1O
InChIInChI=1S/C12H18O2/c1-5-8-6-11(14)9(7-10(8)13)12(2,3)4/h6-7,13-14H,5H2,1-4H3
InChIKeyLFFQVBMXUKNVHU-UHFFFAOYSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
CID 141276702
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
(4-tert-butyl-2,5-dihydroxyphenyl)methyl 5-methylhexanoate
CID 139928552
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
octadecyl 2-(2,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87558990
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
CID 138634849
4-[3,3-bis(2,5-ditert-butyl-4-hydroxyphenyl)butyl]-2,5-ditert-butylphenol
CID 139643650

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethylbenzene-1,4-diol?
The IUPAC name of 2-tert-butyl-5-ethylbenzene-1,4-diol (CID 13097614) is 2-tert-butyl-5-ethylbenzene-1,4-diol.
What is the SMILES notation for 2-tert-butyl-5-ethylbenzene-1,4-diol?
The canonical SMILES for 2-tert-butyl-5-ethylbenzene-1,4-diol is CCc1cc(O)c(C(C)(C)C)cc1O.
What is the InChIKey of 2-tert-butyl-5-ethylbenzene-1,4-diol?
The InChIKey is LFFQVBMXUKNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-8-6-11(14)9(7-10(8)13)12(2,3)4/h6-7,13-14H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethylbenzene-1,4-diol?
2-tert-butyl-5-ethylbenzene-1,4-diol has a molecular weight of 194.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethylbenzene-1,4-diol is sourced from PubChem (CID 13097614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).