1,6-Diphenoxy-2,4-hexadiyne

C18H14O2CAS 30980-37-1262.31 g/mol

Open in Covalent MOL file
OO
AlkyneEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Benzyl phenyl ether946-80-546 % similar Phenoxyethanol122-99-643 % similar Phenoxyethylamine1758-46-943 % similar (2-Bromoethoxy)benzene589-10-643 % 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

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