1,6-Diphenoxy-2,4-hexadiyne

C₁₈H₁₄O₂CAS 30980-37-1262.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₄O₂
Molar mass: 262.31 g/mol
Exact mass: 262.0994 Da
logP: 3.15Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

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

30980-37-1

SMILES

C1=CC=C(C=C1)OCC#CC#CCOC2=CC=CC=C2

InChIKey

ZBTRFBNXAKJTBI-UHFFFAOYSA-N

InChI

InChI=1S/C18H14O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,15-16H2

Weigh it out

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

Work with 1,6-Diphenoxy-2,4-hexadiyne

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

Phenoxyacetonitrile3598-14-960 % similar (2-Propyn-1-yloxy)benzene13610-02-158 % similar 1,2-Diphenoxyethane104-66-552 % similar Ethyl phenyl ether103-73-146 % similar Phenoxyethanol122-99-643 % similar Phenoxyethylamine1758-46-943 % similar (2-Bromoethoxy)benzene589-10-643 % similar (2-Chloroethoxy)benzene622-86-643 % similar

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

Same formula

1,4-Diphenoxybenzene3061-36-7 1,3-Diphenoxybenzene3379-38-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook