2-tert-Butyl-4-ethylphenol

C₁₂H₁₈OCAS 96-70-8178.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O
Molar mass: 178.27 g/mol
Exact mass: 178.1358 Da
Melting point: 23 °C
Boiling point: 250 °C
logP: 3.25Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

96-70-8

SMILES

CCc1ccc(O)c(C(C)(C)C)c1

InChIKey

LZHCVNIARUXHAL-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Phenol, 2-(1,1-dimethylethyl)-4-ethyl-
Phenol, 2-tert-butyl-4-ethyl-
2-(1,1-Dimethylethyl)-4-ethylphenol
4-Ethyl-2-tert-butylphenol

Work with 2-tert-Butyl-4-ethylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Ethyl-1,2-benzenediol1124-39-660 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-159 % similar tert-Butylhydroquinone1948-33-056 % similar 2,4-Di-tert-butylphenol96-76-456 % similar 4-Bromo-2-tert-butylphenol10323-39-455 % similar 2-tert-Butyl-4-methylphenol2409-55-455 % similar 2,5-Di-tert-butylhydroquinone88-58-452 % similar 2,2′-Methylenebis[4-ethyl-6-tert-butylphenol]88-24-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Amylmetacresol1300-94-3 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 2,4-Dimethyl-6-tert-butylphenol1879-09-0 Propofol2078-54-8 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one3854-96-4

Elsewhere

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