chempirical

4-Propylphenol

C9H12OCAS 645-56-7136.19 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Density
1.009 g/mL (at 20 °C)
Melting point
22 °C
Boiling point
232.6 °C
logP
2.34Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
645-56-7
SMILES
CCCc1ccc(O)cc1
InChIKey
KLSLBUSXWBJMEC-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Phenol, 4-propyl-
  • Phenol, p-propyl-
  • p-Propylphenol
  • 4-n-Propylphenol
  • p-Hydroxypropylbenzene
  • Dihydrochavicol
  • p-n-Propylphenol
  • p-Hydroxy-n-propylbenzene
  • NSC 65647
  • Hydrochavicol

Work with 4-Propylphenol

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-Butylphenol1638-22-874 % similar 4-Pentylphenol14938-35-371 % similar 1-Nonyl-4-phenol104-40-568 % similar 4-N-Octylphenol1806-26-468 % similar 4-N-Heptylphenol1987-50-468 % similar 4-Ethylphenol123-07-961 % similar 1-Bromo-4-propylbenzene588-93-258 % similar Bisphenol F620-92-855 % similar

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

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook