chempirical

4-Iodo-4'-propylbiphenyl

C15H15ICAS 782477-81-0322.19 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C15H15I
Molar mass
322.19 g/mol
Exact mass
322.0218 Da
logP
4.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
782477-81-0
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
InChIKey
MKDLYSABBHXXSV-UHFFFAOYSA-N
InChI
InChI=1S/C15H15I/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3

Weigh it out

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

Work with 4-Iodo-4'-propylbiphenyl

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

1-Iodo-4-pentylbenzene85017-60-363 % similar 4-Propylbiphenyl10289-45-962 % similar 4-Propyl-1,1'-biphenyl71294-42-362 % similar 4-Bromo-4'-propylbiphenyl58743-81-057 % similar 4-(4-N-Propylphenyl)phenol59748-39-957 % similar 4,4''-Diiodo-P-terphenyl19053-14-655 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-855 % similar 1-Ethyl-4-iodobenzene25309-64-254 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook