chempirical

2-Heptylphenol

C13H20OCAS 5284-22-0192.30 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C13H20O
Molar mass
192.30 g/mol
Exact mass
192.1514 Da
logP
3.91Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Identifiers

CAS number
5284-22-0
SMILES
CCCCCCCC1=CC=CC=C1O
InChIKey
FIWYWGLEPWBBQU-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11,14H,2-6,9H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Phenol, heptyl-
  • o-Heptylphenol
  • o-n-Heptylphenol
  • Phenol, o-heptyl-
  • Phenol, 2-heptyl-
  • n-Heptylphenol
  • 2-Heptyl-phenol

Work with 2-Heptylphenol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Propylphenol644-35-971 % similar Hexylresorcinol136-77-667 % similar 4-Dodecylresorcinol24305-56-467 % similar Amylmetacresol1300-94-362 % similar 6-Pentadecylsalicylic acid16611-84-059 % similar Ginkgoneolic acid20261-38-559 % similar 4-Butylresorcinol18979-61-856 % similar Decylbenzene104-72-355 % similar

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

Same formula

Ionone127-41-3 Pseudoionone141-10-6 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one14901-07-6 4-N-Heptylphenol1987-50-4 (2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one23726-92-3 Myrac aldehyde37677-14-8 α-Damascone43052-87-5 δ-Damascone57378-68-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook