3-tert-Butylphenol

C₁₀H₁₄OCAS 585-34-2150.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O
Molar mass: 150.22 g/mol
Exact mass: 150.1045 Da
Melting point: 42.3 °C
Boiling point: 240 °C
logP: 2.69Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

585-34-2

SMILES

CC(C)(C)c1cccc(O)c1

InChIKey

CYEKUDPFXBLGHH-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3

Weigh it out

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

Names and synonyms

6 names

Phenol, 3-(1,1-dimethylethyl)-
Phenol, m-tert-butyl-
3-(1,1-Dimethylethyl)phenol
m-tert-Butylphenol
3-t-Butylphenol
5-tert-Butyl-1-hydroxybenzene

Work with 3-tert-Butylphenol

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

1,3-Di-tert-butylbenzene1014-60-465 % similar 3,5-Di-tert-butylphenol1138-52-960 % similar 3-(Trifluoromethyl)phenol98-17-957 % similar 4-tert-Butylphenol98-54-454 % similar Resorcinol108-46-352 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-752 % similar 4-tert-Butylcatechol98-29-348 % similar tert-Butylbenzene98-06-648 % similar

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

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

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