chempirical

4-sec-Butylphenol

C10H14OCAS 99-71-8150.22 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.9883 g/mL (at 20 °C)
Melting point
61.5 °C
Boiling point
241 °C
logP
2.91Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
99-71-8
SMILES
CCC(C)c1ccc(O)cc1
InChIKey
ZUTYZAFDFLLILI-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3

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

Names and synonyms

8 names
  • Phenol, 4-(1-methylpropyl)-
  • Phenol, p-sec-butyl-
  • 4-(1-Methylpropyl)phenol
  • p-sec-Butylphenol
  • 4-(2-Butyl)phenol
  • NSC 2210
  • (±)-4-sec-Butylphenol
  • 4-(Butan-2-yl)phenol

Work with 4-sec-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

Hexestrol84-16-263 % similar sec-Butylbenzene135-98-859 % similar 4-(1-Methylpropyl)benzenamine30273-11-159 % similar 4-Isopropylphenol99-89-852 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-848 % similar 4,4′,4′′-Methylidynetris[phenol]603-44-146 % similar O-sec-Butylphenol89-72-545 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-643 % 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

PubChem CAS Common Chemistry NIST WebBook