chempirical

O-sec-Butylphenol

C10H14OCAS 89-72-5150.22 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
98.04 g/mL (at 25 °C)
Melting point
14 °C
Boiling point
224–237 °C
logP
2.91Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
89-72-5
SMILES
CCC(C)c1ccccc1O
InChIKey
NGFPWHGISWUQOI-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-(1-methylpropyl)-
  • Phenol, o-sec-butyl-
  • 2-(1-Methylpropyl)phenol
  • 2-sec-Butylphenol
  • 2-(2-Butyl)phenol
  • (±)-2-sec-Butylphenol
  • 2-(Butan-2-yl)phenol
  • 2-Butan-2-ylphenol

Work with O-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

2-Isopropylphenol88-69-755 % similar sec-Butylbenzene135-98-850 % similar 2-Cyclohexylphenol119-42-645 % similar 4-sec-Butylphenol99-71-845 % similar Fenobucarb3766-81-245 % similar 2-Ethylphenol90-00-641 % similar Catechol120-80-938 % similar 2-Propylphenol644-35-938 % 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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