chempirical

4-(Heptyloxy)benzoic acid

C14H20O3CAS 15872-42-1236.31 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C14H20O3
Molar mass
236.31 g/mol
Exact mass
236.1412 Da
Melting point
92–95 °C
logP
3.73Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
8

Identifiers

CAS number
15872-42-1
SMILES
CCCCCCCOc1ccc(C(=O)O)cc1
InChIKey
ZRVIYEJYXIDATJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 4-(heptyloxy)-
  • Benzoic acid, p-(heptyloxy)-
  • p-(Heptyloxy)benzoic acid
  • p-Heptoxybenzoic acid
  • 4-n-Heptyloxybenzoic acid
  • p-(n-Heptyloxy)benzoic acid
  • p-(n-Heptoxy)benzoic acid
  • NSC 73158

Work with 4-(Heptyloxy)benzoic acid

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

4-(Hexyloxy)benzoic acid1142-39-8100 % similar 4-(Nonyloxy)benzoic acid15872-43-2100 % similar 4-(Undecyloxy)benzoic acid15872-44-3100 % similar 4-(Dodecyloxy)benzoic acid2312-15-4100 % similar Octyloxybenzoic acid2493-84-7100 % similar 4-(Decyloxy)benzoic acid5519-23-3100 % similar 4-(Pentyloxy)benzoic acid15872-41-097 % similar 4-Butoxybenzoic acid1498-96-088 % similar

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

Same formula

Heptylparaben1085-12-7 3-Hydroxy-1-adamantyl methacrylate115372-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook